SCHEMBL6503344

SCHEMBL6503344

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
EPHX2 P34913 8/20 0.49
PPARG P37231 7/20 0.45
PPARA Q07869 8/20 0.45
PPARD Q03181 4/20 0.45
LDHA P00338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4328257 0.85 ALOX15 (0.57) GAAEPHX2PPARGPPARAPPARD
SCHEMBL3948497 0.84 PPARA (0.51) EPHX2PPARGPPARAPPARD
SCHEMBL3953632 0.84 GAA (0.50) GAAPPARGPPARAPPARDLDHA
SCHEMBL1906000 0.83 EPHX2 (0.54) EPHX2PPARGPPARA
SCHEMBL6901178 0.83 EPHX2 (0.54) EPHX2PPARGPPARA
SCHEMBL1903633 0.83 EPHX2 (0.54) EPHX2PPARGPPARA
Hydrochloric Acid SCHEMBL3948175 0.83 PPARA (0.50) EPHX2PPARGPPARAPPARD
SCHEMBL6503458 0.83 PPARA (0.52) EPHX2PPARGPPARAPPARD
SCHEMBL3945006 0.83 PPARA (0.52) EPHX2PPARGPPARAPPARD
SCHEMBL6380133 0.83 PPARA (0.55) EPHX2PPARGPPARAPPARD

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