SCHEMBL7279728

SCHEMBL7279728

COC(=O)CC(c1ccccc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.44
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL13318255 0.90 AHR (0.43) KCNA5HPGDCYP2D6CYP2C9CYP2C19
SCHEMBL13118146 0.90 AHR (0.43) KCNA5HPGDCYP2D6CYP2C9CYP2C19
SCHEMBL13318256 0.90 AHR (0.43) KCNA5HPGDCYP2D6CYP2C9CYP2C19
SCHEMBL27482821 0.83 POLB (0.45) PKMHPGDPOLBALDH1A1CYP2C9
SCHEMBL29290745 0.82 POLB (0.47) PKMPOLBALDH1A1CYP2C19TSHR
SCHEMBL2347309 0.82 HPGD (0.57) KCNA5HPGDPOLBALDH1A1TSHR
SCHEMBL13616733 0.81 FFAR1 (0.52) KCNA5POLBALDH1A1
SCHEMBL28814772 0.81 ALOX5 (0.45) HPGDPOLBALDH1A1KMT2ANPC1
SCHEMBL29065807 0.81 ALOX5 (0.45) HPGDPOLBALDH1A1KMT2ANPC1
SCHEMBL29065809 0.81 ALOX5 (0.45) HPGDPOLBALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048159-C Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 2000-01-12 CN disclosed
EP-0955294-A2 Imidazolyl-alkenoic acid SMITHKLINE BEECHAM CORPORATION (US) 1999-11-10 EP disclosed
US-5418250-A Hypotensive SMITHKLINE BEECHAM CORPORATION (US) 1995-05-23 US disclosed
CN-1027504-C Process for the preparation of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1995-01-25 CN disclosed
CN-1079649-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
US-5185351-A Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-02-09 US disclosed
CN-1048038-A IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1990-12-26 CN disclosed
EP-0403159-A2 Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed