SCHEMBL6505922

SCHEMBL6505922

Cc1csc(-c2ccc(CC(OC(C)C)C(=O)O)cc2CNC(=O)c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
NLRP1 Q9C000 1/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARA Q07869 3/20 0.35
PSMB5 P28074 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
SHMT1 P34896 1/20 0.35
SHMT2 P34897 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ANO1 Q5XXA6 1/20 0.34

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
SCHEMBL7685465 0.93 EPHX2 (0.36) HPGDALDH1A1POLBPPARASMN1; SMN2
SCHEMBL6498815 0.89 PPARG (0.37) ALDH1A1PPARAPPARGPPARD
SCHEMBL6502406 0.88 HPGD (0.39) CTSLLMNAMAPK1NLRP1HPGD
SCHEMBL6496412 0.88 PPARA (0.44) LMNAMAPK1NLRP1HPGDALDH1A1
SCHEMBL6503035 0.87 S1PR3 (0.36) PPARAPPARGPPARD
SCHEMBL6498341 0.87 LMNA (0.38) CTSLLMNAMAPK1NLRP1HPGD
SCHEMBL6495506 0.84 PPARA (0.38) CTSLLMNAMAPK1NLRP1HPGD
SCHEMBL6496468 0.83 MAPT (0.38) LMNAMAPK1NLRP1HPGDALDH1A1
SCHEMBL6504503 0.83 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL6494389 0.82 PTGER4 (0.41) LMNAMAPK1NLRP1POLBTHRB

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed