SCHEMBL6505813

SCHEMBL6505813

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1cnc(-c2ccccc2)n1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.43
PPARG P37231 8/20 0.43
PPARD Q03181 7/20 0.43
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 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
SCHEMBL6503163 0.85 PPARA (0.41) PPARAPPARGPPARDPOLBMAPT
SCHEMBL6502012 0.85 PIN1 (0.48) PPARAPPARGPPARDPOLB
SCHEMBL6505343 0.84 POLB (0.44) PPARAPPARGPPARDPOLBMAPT
SCHEMBL6505823 0.84 KMT2A (0.41) PPARAPPARGPPARD
SCHEMBL6497351 0.82 POLB (0.43) PPARAPPARGPPARDPOLBMAPT
SCHEMBL6495611 0.81 PPARG (0.49) PPARAPPARGPPARDPOLBMAPT
SCHEMBL6503221 0.81 MAPT (0.54) MAPTTP53SMN1; SMN2LMNAMAPK1
SCHEMBL6496490 0.80 POLB (0.65) POLBMAPTTP53HPGDSMN1; SMN2
SCHEMBL6494358 0.78 MAPT (0.43) PPARAPPARDPOLBMAPTTP53
SCHEMBL6504378 0.76 PPARD (0.40) PPARAPPARGPPARDPOLBMAPT

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