SCHEMBL10740698

SCHEMBL10740698

Cc1ccc(C(CC(=O)O)C(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.42
DAO P14920 1/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB5 P18084 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9489532 0.81 ALOX5 (0.49) ALDH1A1ALOX5DAOPOLBTDP1
SCHEMBL164188 0.80 ALOX5 (0.44) ALDH1A1ALOX5DAOPOLBTDP1
SCHEMBL10743661 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1GAAALOX5POLB
SCHEMBL1520622 0.79 ALOX5 (0.46) ALDH1A1ALOX5DAOPOLBTDP1
SCHEMBL10747469 0.78 ALOX5 (0.43) ALDH1A1ALOX5DAOPOLBTDP1
SCHEMBL10745762 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1GAAALOX5POLB
SCHEMBL341475 0.76 GABBR2 (0.67) GAAALOX5DAOKMT2AGABBR2
SCHEMBL21273058 0.75 ALOX5 (0.40) ALDH1A1ALOX5DAOPOLBTDP1
SCHEMBL21273024 0.75 ALOX5 (0.40) ALDH1A1ALOX5DAOPOLBTDP1
SCHEMBL10747456 0.75 FFAR1 (0.49) ALDH1A1L3MBTL1GAAALOX5DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1009553-B PREPARATION METHOD OF COMPOUNDS OF 5,6-DIHYDRO-4H-CYOCLOPENTADIENE (B) THIOPHENE-6-CARBOXYLIC ACID LYON INDUSTRAL MEDICINE CO (FR) 1990-09-12 CN disclosed
US-4649153-A ANTIINFLAMMATORY, ANALGESICS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1987-03-10 US disclosed
CN-85106178-A 5,6 dihydros-4H-cyclopenta (b) thiophene-6-carboxylic acid compound and contain the preparation method of the medicine of these compounds 1987-03-04 CN disclosed