SCHEMBL4619685

SCHEMBL4619685

COC=CCCCCCCc1c[nH]nn1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4619791 1.00 CYP3A4 (0.30) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4619563 1.00 CYP3A4 (0.30) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4618956 1.00 CYP3A4 (0.30) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4620177 0.85
SCHEMBL4620184 0.85
SCHEMBL4619821 0.85
SCHEMBL4617160 0.85
SCHEMBL9634211 0.83 EPHX2 (0.41)
SCHEMBL9634220 0.83 EPHX2 (0.41)
SCHEMBL4617653 0.77 TDP1 (0.40) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO claimed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP claimed
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO disclosed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP disclosed