SCHEMBL6955816

SCHEMBL6955816

Cc1oc(-c2ccccc2)nc1COc1ccc(C=CC=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
PPARG P37231 9/20 0.56
PPARA Q07869 9/20 0.56
KDR P35968 1/20 0.55
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 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
SCHEMBL8340675 0.92 KDR (0.57) FFAR1PPARGPPARAKDRMAPT
SCHEMBL8340671 0.92 KDR (0.57) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6157782 0.89 FFAR1 (0.65) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6957767 0.89 FFAR1 (0.49) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6957771 0.89 FFAR1 (0.49) FFAR1PPARGPPARAKDRMAPT
SCHEMBL7165255 0.89 PPARG (0.69) PPARGPPARA
SCHEMBL7165258 0.89 PPARG (0.69) PPARGPPARA
SCHEMBL6960376 0.88 KDR (0.63) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6960372 0.88 KDR (0.63) FFAR1PPARGPPARAKDRMAPT
SCHEMBL6970798 0.87 FFAR1 (0.62) FFAR1PPARGPPARAKDRMAPT

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