SCHEMBL14260950

SCHEMBL14260950

COC(=O)C12CCCCC1C2C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL19003826 0.72 CYP1A2 (0.36) NPSR1CYP2C19
SCHEMBL9416802 0.71 MAPT (0.41) MAPTNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL3926406 0.70 MAPT (0.36) MAPTNPSR1ALDH1A1L3MBTL1MEN1
SCHEMBL11882807 0.69 NPSR1 (0.33) MAPTNPSR1ALDH1A1L3MBTL1
SCHEMBL11383093 0.69 NPSR1 (0.33) MAPTNPSR1ALDH1A1L3MBTL1
SCHEMBL11878328 0.69 NPSR1 (0.33) MAPTNPSR1ALDH1A1L3MBTL1
SCHEMBL5683465 0.69 MAPT (0.44) MAPTNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL759802 0.68 NPSR1 (0.54) MAPTNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL3978516 0.68 MAPT (0.42) MAPTNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL10885761 0.68 NPSR1 (0.34) MAPTNPSR1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed