SCHEMBL7044675

SCHEMBL7044675

CCCc1c(OCCCSc2ccc(C(C)C(=O)OC)c(C)c2Cl)ccc2c(-c3ccccc3)noc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.64
PPARG P37231 19/20 0.64
PPARD Q03181 19/20 0.64

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
SCHEMBL7042966 0.93 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL6559610 0.87 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6561582 0.80 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL7040820 0.78 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL7042004 0.78 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL7044107 0.78 PPARA (0.77) PPARAPPARGPPARD
SCHEMBL7041509 0.76 PPARA (0.83) PPARAPPARGPPARD
SCHEMBL7039666 0.76 PPARG (0.84) PPARAPPARGPPARD
SCHEMBL7042144 0.75 PPARA (0.80) PPARAPPARGPPARD
SCHEMBL6054768 0.75 PPARA (0.70) PPARAPPARGPPARD

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
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed