SCHEMBL6964541

SCHEMBL6964541

Cc1oc(-c2ccccc2)nc1CCCOc1ccc(C=CC#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.57
PPARA Q07869 16/20 0.57
PPARD Q03181 9/20 0.49

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
SCHEMBL6964537 1.00 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL6971178 0.95 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL6971180 0.95 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL27385540 0.86 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL6970285 0.84 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL14002819 0.84 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL6971842 0.82 PPARG (0.61) PPARGPPARA
SCHEMBL6971832 0.82 PPARG (0.61) PPARGPPARA
SCHEMBL14382157 0.81 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL12652544 0.81 PPARG (0.69) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed