SCHEMBL7038835

SCHEMBL7038835

BrCCCOc1ccc2c(-c3ccccc3)noc2c1CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.48
PPARG P37231 19/20 0.48
PPARD Q03181 19/20 0.48

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
SCHEMBL6101419 0.82 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7040761 0.79 PPARA (0.73) PPARAPPARGPPARD
SCHEMBL7041214 0.77 PPARA (0.39) PPARAPPARGPPARD
SCHEMBL7041390 0.76 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL7044780 0.74 PPARG (0.78) PPARAPPARGPPARD
SCHEMBL7044536 0.74 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL10730958 0.73 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL8006414 0.72 PPARG (0.70) PPARAPPARGPPARD
SCHEMBL7042951 0.70 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL7042231 0.70 PPARD (0.54) 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