SCHEMBL6963271

SCHEMBL6963271

Cc1oc(-c2ccccc2)nc1COc1ccc(/C=C/CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
KDR P35968 1/20 0.60
PPARG P37231 9/20 0.56
PPARA Q07869 9/20 0.56
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
SCHEMBL6963274 1.00 FFAR1 (0.61) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6963111 0.90 PPARG (0.67) PPARGPPARA
SCHEMBL6963103 0.90 PPARG (0.67) PPARGPPARA
SCHEMBL6965096 0.89 KDR (0.51) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6965102 0.89 KDR (0.51) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6965135 0.88 KDR (0.69) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6965127 0.88 KDR (0.69) FFAR1KDRPPARGPPARAMAPT
SCHEMBL6965477 0.86 KDR (0.53) FFAR1KDRPPARGPPARAKDM4E
SCHEMBL6965467 0.86 KDR (0.53) FFAR1KDRPPARGPPARAKDM4E
SCHEMBL6157782 0.84 FFAR1 (0.65) FFAR1KDRPPARGPPARAMAPT

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