SCHEMBL5183161

SCHEMBL5183161

CCCCCNC(=O)Nc1ccc(O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
EPHX1 P07099 7/20 0.57
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL11032499 0.99 EPHX1 (0.60) CNR1CNR2EPHX1EPHX2ALDH1A1
SCHEMBL6566759 0.90 EPHX1 (0.57) EPHX1EPHX2ALDH1A1HTT
SCHEMBL8603136 0.88 EPHX1 (0.60) EPHX1EPHX2ALDH1A1HTT
SCHEMBL8598636 0.88 EPHX1 (0.60) EPHX1EPHX2ALDH1A1HTT
SCHEMBL14338677 0.88 EPHX1 (0.62) EPHX1EPHX2ALDH1A1HTT
SCHEMBL12989362 0.85 QPCT (0.63) CNR1EPHX1HTT
SCHEMBL8391695 0.83 EPHX1 (0.67) EPHX1EPHX2ALDH1A1HTT
SCHEMBL6566860 0.83 EPHX2 (0.69) EPHX1EPHX2ALDH1A1HTT
SCHEMBL4786912 0.81 KDR (0.54) EPHX1EPHX2ALDH1A1HTT
SCHEMBL4786099 0.81 EPHX1 (0.52) EPHX1EPHX2ALDH1A1HTT

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed