SCHEMBL4825263

SCHEMBL4825263

COc1cc(CO)cc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
TNKS2 Q9H2K2 1/20 0.47
THRB P10828 1/20 0.46
RORC P51449 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP19A1 P11511 1/20 0.42
AKR1B1 P15121 1/20 0.42
ERN1 O75460 2/20 0.42
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PSMD14 O00487 1/20 0.40
ALOX15 P16050 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1067240 0.86 TNKS2 (0.55) TNKS2KMT2AHSD17B10AKR1B1ERN1
SCHEMBL4914092 0.82 THRB (0.47) TNKS2THRBRORCMEN1KMT2A
SCHEMBL10285344 0.82 AKR1B1 (0.55) TNKS2MEN1KMT2AAKR1B1ERN1
SCHEMBL12775669 0.80 TRPV1 (0.46) TRPV1TNKS2MEN1KMT2AHSD17B10
SCHEMBL8040678 0.80 TNKS2 (0.70) TNKS2HSD17B10AKR1B1ERN1GAA
SCHEMBL1613840 0.79 THRB (0.44) TRPV1TNKS2THRBRORCMEN1
SCHEMBL31315838 0.79 TNKS (0.63) TRPV1TNKS2MEN1KMT2AGAA
SCHEMBL11156508 0.79 GAA (0.57) TRPV1THRBGAATSHR
SCHEMBL737479 0.79 HSD17B10 (0.52) THRBMEN1KMT2AHSD17B10NPC1
SCHEMBL829369 0.78 KDM4E (0.52) TRPV1TNKS2AKR1B1ERN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462433-B2 Undercoat layer containing charge transfer molecule, andTiO2; imaging layer; charge transfer molecule complexes with the TiO2 to form coordination bonds and the coordination bonds provide a reduction in ghosting; electrophotographic imaging members; improved image quality XEROX CORPORATION (US) 2008-12-09 US claimed
US-20070048639-A1 Undercoat layer containing charge transfer molecule, andTiO2; imaging layer; charge transfer molecule complexes with the TiO2 to form coordination bonds and the coordination bonds provide a reduction in ghosting; electrophotographic imaging members; improved image quality XEROX CORPORATION (US) 2007-03-01 US claimed
US-7462433-B2 Undercoat layer containing charge transfer molecule, andTiO2; imaging layer; charge transfer molecule complexes with the TiO2 to form coordination bonds and the coordination bonds provide a reduction in ghosting; electrophotographic imaging members; improved image quality XEROX CORPORATION (US) 2008-12-09 US disclosed
US-20070048639-A1 Undercoat layer containing charge transfer molecule, andTiO2; imaging layer; charge transfer molecule complexes with the TiO2 to form coordination bonds and the coordination bonds provide a reduction in ghosting; electrophotographic imaging members; improved image quality XEROX CORPORATION (US) 2007-03-01 US disclosed
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 US disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 US disclosed
US-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
EP-0515548-A4 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-03-10 EP disclosed
US-5183810-A Hyptoensive agents MERCK & CO., INC. (US) 1993-02-02 US disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed
EP-0515548-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
WO-1991012002-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed