SCHEMBL6502012

SCHEMBL6502012

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCNC(=O)c1cc(-c2ccccc2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.48
PHGDH O43175 9/20 0.47
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
POLB P06746 1/20 0.41

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) PPARAPPARGPPARDPOLB
SCHEMBL6505813 0.85 PPARA (0.43) PPARAPPARGPPARDPOLB
SCHEMBL6502018 0.83 PHGDH (0.55) PIN1PHGDH
SCHEMBL6496022 0.82 PPARA (0.48) PHGDHPPARAPPARGPPARD
SCHEMBL6503221 0.82 MAPT (0.54)
SCHEMBL6505343 0.81 POLB (0.44) PPARAPPARGPPARDPOLB
SCHEMBL6503163 0.81 PPARA (0.41) PPARAPPARGPPARDPOLB
SCHEMBL6496490 0.81 POLB (0.65) POLB
SCHEMBL6497351 0.79 POLB (0.43) PPARAPPARGPPARDPOLB
SCHEMBL6494358 0.79 MAPT (0.43) PPARAPPARDPOLB

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