SCHEMBL6965102

SCHEMBL6965102

Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(C=CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
FFAR1 O14842 1/20 0.49
MAPT P10636 5/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
TP53 P04637 5/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6965096 1.00 KDR (0.51) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6963274 0.89 FFAR1 (0.61) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6963271 0.89 FFAR1 (0.61) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4034465 0.86 RAB9A (0.53) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6957771 0.85 FFAR1 (0.49) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6957767 0.85 FFAR1 (0.49) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4029049 0.84 KDR (0.64) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6959183 0.84 MAPT (0.52) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6959182 0.84 MAPT (0.52) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6965489 0.82 FFAR1 (0.44) KDRFFAR1MAPTPPARGPPARA

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