SCHEMBL6502406

SCHEMBL6502406

Cc1ccc(-c2ccc(CC(OC(C)C)C(=O)O)cc2CNC(=O)c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARA Q07869 3/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 2/20 0.36
CTSL P07711 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
ALOX12 P18054 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
SCHEMBL6498341 0.93 LMNA (0.38) HPGDLMNAMAPK1NLRP1ALDH1A1
SCHEMBL6494327 0.92 EPHX2 (0.37) HPGDLMNAALDH1A1PPARAEPHX2
SCHEMBL6505922 0.88 CTSL (0.37) HPGDLMNAMAPK1NLRP1ALDH1A1
SCHEMBL6496412 0.87 PPARA (0.44) HPGDLMNAMAPK1NLRP1ALDH1A1
SCHEMBL6502859 0.87 S1PR3 (0.36) PPARAEPHX2PPARGPPARD
SCHEMBL6495506 0.84 PPARA (0.38) HPGDLMNAMAPK1NLRP1ALDH1A1
SCHEMBL6494389 0.84 PTGER4 (0.41) LMNAMAPK1NLRP1POLBTHRB
SCHEMBL6496468 0.82 MAPT (0.38) HPGDLMNAMAPK1NLRP1ALDH1A1
SCHEMBL6506028 0.82 LMNA (0.37) HPGDLMNAMAPK1NLRP1ALDH1A1
SCHEMBL6494267 0.82 PPARA (0.44) 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