SCHEMBL6973177

SCHEMBL6973177

CC(=CC=CC#N)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
MAPT P10636 4/20 0.50
KDR P35968 1/20 0.50
PPARG P37231 6/20 0.49
PPARA Q07869 6/20 0.49
TP53 P04637 3/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL6973172 1.00 FFAR1 (0.53) FFAR1MAPTKDRPPARGPPARA
SCHEMBL8341224 0.85 FFAR1 (0.61) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6970585 0.85 FFAR1 (0.61) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6970580 0.85 FFAR1 (0.61) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6969593 0.84 FFAR1 (0.54) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6969598 0.84 FFAR1 (0.54) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6966114 0.81 FFAR1 (0.59) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6964355 0.81 FFAR1 (0.59) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6963899 0.81 FFAR1 (0.64) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6963894 0.81 FFAR1 (0.64) FFAR1MAPTKDRPPARGPPARA

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