SCHEMBL6959182

SCHEMBL6959182

COC(=O)/C=C/c1ccc(OCc2nc(-c3ccc4ccccc4c3)oc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
FFAR1 O14842 1/20 0.51
TP53 P04637 5/20 0.50
POLB P06746 2/20 0.50
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDR P35968 1/20 0.45

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
SCHEMBL6959183 1.00 MAPT (0.52) MAPTFFAR1TP53POLBPPARG
SCHEMBL4034465 0.84 RAB9A (0.53) MAPTFFAR1TP53POLBPPARG
SCHEMBL6965102 0.84 KDR (0.51) MAPTFFAR1TP53POLBPPARG
SCHEMBL6957771 0.84 FFAR1 (0.49) MAPTFFAR1TP53POLBPPARG
SCHEMBL6957767 0.84 FFAR1 (0.49) MAPTFFAR1TP53POLBPPARG
SCHEMBL6965096 0.84 KDR (0.51) MAPTFFAR1TP53POLBPPARG
SCHEMBL4029049 0.81 KDR (0.64) MAPTFFAR1TP53POLBPPARG
SCHEMBL7158396 0.81 PPARG (0.68) PPARGPPARA
SCHEMBL6966725 0.81 FFAR1 (0.61) MAPTFFAR1TP53PPARGPPARA
SCHEMBL12616950 0.81 PPARG (0.68) PPARGPPARA

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