SCHEMBL314

SCHEMBL314

COC(=O)c1ccccc1C(=O)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.66
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 7/20 0.59
LMNA P02545 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
THRB P10828 1/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
ALOX12 P18054 1/20 0.54
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.51
CFTR P13569 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL28796463 0.95 AKR1C3 (0.65) AKR1C3TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL7651252 0.87 AKR1C3 (0.68) AKR1C3TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL28000 0.87 TSHR (0.63) AKR1C3ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL29363206 0.87 TSHR (0.63) AKR1C3ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL27840685 0.87 TSHR (0.63) AKR1C3ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL11189754 0.87 AKR1C3 (0.84) AKR1C3TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL4907839 0.86 CA12 (0.60) AKR1C3TDP1ALDH1A1LMNAKMT2A
Benzophenone SCHEMBL29531226 0.85 TSHR (0.61) AKR1C3ALDH1A1LMNAL3MBTL1KMT2A
Water SCHEMBL27735757 0.85 TSHR (0.61) AKR1C3ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL11664019 0.84 NR4A1 (0.64) ALDH1A1LMNAL3MBTL1KMT2AKDM4E

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
WO-2008060844-A1 POLYMERIZATION INHIBITOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE ALBEMARLE CORPORATION (US) 2008-05-22 WO disclosed
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0479903-B1 SUBSTITUTED IMIDAZOLES USEFUL AS ANGIOTENSIN II BLOCKERS DU PONT (US) 1996-02-21 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5354867-A Hypertensive agents; congestive heart failure; used with diuretics to enhance activity; used with NSAIDs to prevent renal failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-11 US disclosed
US-5254546-A Hypotensive agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-19 US disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0479903-A1 SUBSTITUTED IMIDAZOLES. DU PONT (US) 1992-04-15 EP disclosed
WO-1991000277-A1 SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO disclosed
WO-1991000281-A2 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO disclosed
US-4880804-A HYPOTENSIVE AGENTS, CONGESTIVE HEART FAILURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-14 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed