SCHEMBL6503458

SCHEMBL6503458

CCOC(=O)C(CC)Cc1ccc(OC)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.52
PPARD Q03181 10/20 0.52
PPARG P37231 9/20 0.52
EPHX2 P34913 4/20 0.51
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL3943600 0.88 PPARA (0.54) PPARAPPARDPPARGEPHX2
SCHEMBL3948497 0.88 PPARA (0.51) PPARAPPARDPPARGEPHX2PKM
Hydrochloric Acid SCHEMBL3948175 0.87 PPARA (0.50) PPARAPPARDPPARGEPHX2PKM
SCHEMBL4328257 0.84 ALOX15 (0.57) PPARAPPARDPPARGEPHX2ALOX15
SCHEMBL6503344 0.83 GAA (0.50) PPARAPPARDPPARGEPHX2
SCHEMBL3945006 0.82 PPARA (0.52) PPARAPPARDPPARGEPHX2
SCHEMBL6380133 0.82 PPARA (0.55) PPARAPPARDPPARGEPHX2
SCHEMBL4329462 0.81 ALOX15 (0.44) PPARAPPARDPPARGPKMALOX15
SCHEMBL3945079 0.81 EPHX2 (0.47) PPARAPPARDPPARGEPHX2
SCHEMBL6493866 0.79 PPARA (0.60) PPARAPPARDPPARGEPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed