SCHEMBL7046579

SCHEMBL7046579

CCCc1cccc(Cc2nnnn2SCCCCOc2ccc3c(-c4ccccc4)noc3c2CCC)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.57
PPARG P37231 19/20 0.57
PPARD Q03181 19/20 0.57

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
SCHEMBL6559343 0.87 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL6935701 0.76 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL7044940 0.74 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL7040761 0.73 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL6101419 0.72 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL6559286 0.72 GRM2 (0.33) PPARAPPARGPPARD
SCHEMBL2896562 0.72 PPARA (1.00) PPARAPPARGPPARD
SCHEMBL7041390 0.71 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL7038852 0.71 PPARG (1.00) PPARAPPARGPPARD
SCHEMBL7042163 0.70 PPARA (0.56) 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 6 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 claimed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US claimed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
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