SCHEMBL4455828

SCHEMBL4455828

CCCCCCCCCCC(O)COc1ccccc1-c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ADRB2 P07550 4/20 0.40
ADRB1 P08588 3/20 0.40
ALOX15 P16050 2/20 0.39
PPARG P37231 2/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 1/20 0.38

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
SCHEMBL27804522 0.95 ADRB2 (0.39) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL30051714 0.85 ADRB2 (0.46) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL2459089 0.85 ADRB2 (0.46) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL7249592 0.83 KMT2A (0.42) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL63677 0.82 S1PR1 (0.46) KMT2AMEN1LMNATP53TSHR
SCHEMBL21113565 0.81 ADRB2 (0.43) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL29907246 0.81 ADRB2 (0.43) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL2004527 0.80 ADRB2 (0.39) KMT2AMEN1ADRB2ADRB1ALOX15
SCHEMBL8382149 0.80 MEN1 (0.49) KMT2AMEN1LMNACYP1A2KDM4E
SCHEMBL8384530 0.80 MEN1 (0.49) KMT2AMEN1LMNACYP1A2KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137576-B1 DUAL PHOTOINITIATOR, PHOTOCURABLE COMPOSITION, USE THEREOF AND PROCESS FOR PRODUCING A THREE DIMENSIONAL ARTICLE 3D SYSTEMS INCORPORATED (US) 2018-08-29 EP disclosed
CN-101558110-B Thermally stable cationic photocurable compositions CIBA HOLDING INC 2012-06-13 CN disclosed
CN-101558110-A Thermally stable cationic photocurable compositions CIBA HOLDING INC (CH) 2009-10-14 CN disclosed
EP-2076563-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS Ciba Holding Inc. (CH) 2009-07-08 EP disclosed
WO-2008049743-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS CIBA HOLDING INC. (CH) 2008-05-02 WO disclosed
CN-1102623-C Curing process for cationically photocurable formulation CIBA SC HOLDING AG (CH) 2003-03-05 CN disclosed
CN-1225109-A Curing process for cationically photocurable formulation CIBA SC HOLDING AG (CH) 1999-08-04 CN disclosed