SCHEMBL7556532

SCHEMBL7556532

C=CCc1ccsc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
PTGDR Q13258 1/20 0.37
LTB4R Q15722 5/20 0.36
ALDH1A1 P00352 3/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL15533293 0.86 KDM4E (0.36) KDM4EGAAPTGDR2PTGDRLTB4R
SCHEMBL10584739 0.85 ALOX5 (0.34) PTGDR2PTGDRLTB4RALDH1A1POLB
SCHEMBL10424599 0.81 AKR1B1 (0.43) KDM4EPTGDR2LTB4RALDH1A1PPARG
SCHEMBL15380492 0.80 LTB4R (0.47) KDM4EPTGDR2LTB4RALDH1A1PPARG
SCHEMBL1164626 0.79 GABRA1 (0.36) POLBGABRA1GABRB2
SCHEMBL4600787 0.78 PTGDR2 (0.41) KDM4EPTGDR2LTB4RALDH1A1PPARG
SCHEMBL7556328 0.78 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL11345353 0.77 ALDH1A1 (0.40) KDM4EPTGDR2LTB4RALDH1A1PPARG
SCHEMBL31564493 0.75 KDM4E (0.38) KDM4EGAAPTGDR2LTB4RALDH1A1
SCHEMBL29882 0.75 PTPRC (0.42) PTGDR2PTGDRKMT2AGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002020366-A METHOD FOR PRODUCING ALKYLTHIOPHENYLACETIC ACID SUMITOMO SEIKA CHEM CO LTD 2002-01-23 JP disclosed
US-3969401-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC WILLIAM H. RORER, INC. (US) 1976-07-13 US disclosed