SCHEMBL6497351

SCHEMBL6497351

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PPARA Q07869 5/20 0.42
PPARD Q03181 3/20 0.42
PPARG P37231 3/20 0.42
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTOR P42345 1/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL6504378 0.89 PPARD (0.40) POLBPPARAPPARDPPARGMAPT
SCHEMBL6498088 0.85 PPARA (0.47) PPARAPPARDPPARGMAPTTP53
SCHEMBL6498320 0.85 PPARA (0.45) PPARAPPARDPPARGHPGDALDH1A1
SCHEMBL6504835 0.85 PPARG (0.43) PPARAPPARDPPARG
SCHEMBL5552676 0.84 PPARA (0.42) POLBPPARAPPARDPPARGMAPT
SCHEMBL6505343 0.84 POLB (0.44) POLBPPARAPPARDPPARGMAPT
SCHEMBL6502624 0.83 PPARG (0.46) PPARAPPARDPPARG
SCHEMBL5549055 0.83 PPARA (0.43) PPARAPPARDPPARGMAPTTP53
SCHEMBL6497349 0.83 OPRK1 (0.40) PPARAPPARDPPARG
SCHEMBL6496490 0.83 POLB (0.65) POLBMAPTTP53HPGDALDH1A1

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