SCHEMBL6498341

SCHEMBL6498341

CC(C)OC(Cc1ccc(-c2ccc(Cl)s2)c(CNC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NLRP1 Q9C000 1/20 0.38
HPGD P15428 2/20 0.37
THRB P10828 2/20 0.37
POLB P06746 2/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
PPARA Q07869 2/20 0.36
CTSL P07711 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
P2RX7 Q99572 1/20 0.35
PPARG P37231 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
SCHEMBL6502406 0.93 HPGD (0.39) LMNAMAPK1NLRP1HPGDTHRB
SCHEMBL6504997 0.88 TP53 (0.40) THRBTP53PPARAALDH1A1MAPT
SCHEMBL6496412 0.87 PPARA (0.44) LMNAMAPK1NLRP1HPGDTHRB
SCHEMBL6494217 0.87 S1PR3 (0.36) THRBTP53PPARAMAPTPPARG
SCHEMBL6505922 0.87 CTSL (0.37) LMNAMAPK1NLRP1HPGDTHRB
SCHEMBL6494327 0.86 EPHX2 (0.37) LMNAHPGDTP53PPARAALDH1A1
SCHEMBL6495506 0.84 PPARA (0.38) LMNAMAPK1NLRP1HPGDTHRB
SCHEMBL6494450 0.84 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL6494389 0.84 PTGER4 (0.41) LMNAMAPK1NLRP1THRBPOLB
SCHEMBL6496468 0.82 MAPT (0.38) LMNAMAPK1NLRP1HPGDTHRB

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