SCHEMBL9052328

SCHEMBL9052328

COC(=O)C(c1ccccc1)C(O)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.66
▸ LMNA P02545 4/20 0.47
▸ KEAP1 Q14145 2/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ATM Q13315 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
SCHEMBL27754462 0.83 LMNA (0.49) KMT2ALMNAKEAP1NFE2L2CNR1
SCHEMBL28093888 0.80 KMT2A (0.58) KMT2ALMNAKEAP1NFE2L2PKM
SCHEMBL6752967 0.79 KMT2A (0.81) KMT2ALMNACYP2D6MEN1L3MBTL1
SCHEMBL17084124 0.78 KMT2A (0.55) KMT2ALMNAKEAP1NFE2L2L3MBTL1
SCHEMBL8984177 0.78 KMT2A (0.55) KMT2ALMNAKEAP1NFE2L2L3MBTL1
SCHEMBL28732213 0.78 KMT2A (0.78) KMT2ALMNACYP2D6MEN1ALDH1A1
SCHEMBL6878032 0.76 LMNA (0.54) KMT2ALMNAPKMCYP2D6MEN1
SCHEMBL7959303 0.76 KMT2A (0.75) KMT2ALMNACYP2D6MEN1SLC6A3
SCHEMBL5522307 0.75 KMT2A (0.81) KMT2ALMNACYP2D6MEN1ALDH1A1
SCHEMBL5514748 0.75 KMT2A (0.81) KMT2ALMNACYP2D6MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 — — US disclosed
US-5246944-A Hypotensive and anxiolytic agents; antidepressants MERCK & CO., INC. (US) 1993-09-21 — — 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
EP-0527534-A1 Quinoline and azaquinoline angiotensin II antagonists MERCK & CO. INC. (US) 1993-02-17 — — 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
Send feedback