SCHEMBL6505343

SCHEMBL6505343

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1cn(C)c(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
PPARG P37231 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 3/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6495611 0.85 PPARG (0.49) POLBPPARAPPARDPPARGHPGD
SCHEMBL6505813 0.84 PPARA (0.43) POLBPPARAPPARDPPARGLMNA
SCHEMBL6497351 0.84 POLB (0.43) POLBPPARAPPARDPPARGLMNA
SCHEMBL6505350 0.84 PPARG (0.40) PPARAPPARDPPARG
SCHEMBL6496490 0.83 POLB (0.65) POLBLMNAHPGDMAPTALDH1A1
SCHEMBL6494358 0.81 MAPT (0.43) POLBPPARAPPARDHPGDMAPT
SCHEMBL6502012 0.81 PIN1 (0.48) POLBPPARAPPARDPPARG
SCHEMBL6503163 0.81 PPARA (0.41) POLBPPARAPPARDPPARGLMNA
SCHEMBL6503221 0.78 MAPT (0.54) LMNAMAPTALDH1A1TP53
SCHEMBL6504378 0.78 PPARD (0.40) POLBPPARAPPARDPPARGLMNA

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