SCHEMBL6957771

SCHEMBL6957771

Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(C=CC=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
MAPT P10636 5/20 0.46
KDR P35968 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 5/20 0.44

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
SCHEMBL6957767 1.00 FFAR1 (0.49) FFAR1MAPTKDRPPARGPPARA
SCHEMBL4034465 0.90 RAB9A (0.53) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6955816 0.89 FFAR1 (0.61) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6584383 0.86 MAPT (0.46) MAPTKDRPOLBMEN1ALDH1A1
SCHEMBL8340675 0.86 KDR (0.57) FFAR1MAPTKDRPPARGPPARA
SCHEMBL8340671 0.86 KDR (0.57) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6965482 0.86 FFAR1 (0.44) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6965489 0.86 FFAR1 (0.44) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6965096 0.85 KDR (0.51) FFAR1MAPTKDRPPARGPPARA
SCHEMBL6965102 0.85 KDR (0.51) 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