SCHEMBL3696541

SCHEMBL3696541

Cc1cc(C(=O)c2cccs2)ccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
HPGD P15428 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
CYP2C9 P11712 2/20 0.48
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
ALOX5 P09917 1/20 0.47
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL15197222 0.87 HPGD (0.55) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL27533213 0.84 HPGDS (0.53) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL256840 0.82 HPGD (0.50) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL15197216 0.78 HPGD (0.55) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL11387336 0.78 PTGS1 (0.56) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL11291627 0.76 HPGDS (0.66) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL2473683 0.75 HPGDS (0.60) HPGDSHPGDALDH1A1MEN1KMT2A
SCHEMBL14235189 0.75 NR1H4 (0.52) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL18645422 0.75 CNR2 (0.58) HPGDSHPGDALDH1A1MEN1KMT2A
Dimethylamine SCHEMBL9393138 0.74 PTGS1 (0.52) HPGDSHPGDALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP claimed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO claimed
EP-2393771-A1 Method for the synthesis of chiral alpha-aryl propionic acid derivatives DSM IP Assets B.V. (NL) 2011-12-14 EP disclosed
WO-2010089343-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2010-08-12 WO disclosed
EP-2054384-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLPROPIONIC ACIDS WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-05-06 EP disclosed
WO-2008020270-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLPROPIONIC ACIDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-02-21 WO disclosed
EP-0110671-B1 PREPARATION OF OPTICALLY ACTIVE ALPHA-ARYLALKANOIC ACIDS AND PRECURSORS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-05-21 EP disclosed