SCHEMBL8309560

SCHEMBL8309560

COC(=O)CC(Cc1ccccc1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
REN P00797 1/20 0.44
ABCB1 P08183 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL27535185 0.89 ESR1 (0.43) TSHRRENABCB1NPC1RAB9A
SCHEMBL27557950 0.88 ALDH1A1 (0.51) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL7277764 0.84 MIF (0.53) TSHRCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL27477104 0.82 MME (0.50) MEN1KMT2AMMP1
SCHEMBL6408559 0.81 ALOX5 (0.41) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL27464867 0.80 REN (0.41) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL27617788 0.79 MTNR1A (0.58) ABCB1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6176632 0.78 PKM (0.55) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL7279728 0.78 KCNA5 (0.44) TSHRCYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL7279670 0.78 KDM4E (0.45) TSHRNPC1RAB9ASMN1; SMN2TP53

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 6 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-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