SCHEMBL3715484

SCHEMBL3715484

O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 18/20 0.69
CYP3A4 P08684 16/20 0.69
HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL3709194 1.00 UGCG (0.69) UGCGCYP3A4HDAC8
SCHEMBL13260997 0.89 UGCG (0.68) UGCGCYP3A4
SCHEMBL13260962 0.85 UGCG (0.83) UGCGCYP3A4
SCHEMBL13260370 0.84 UGCG (0.61) UGCGCYP3A4
SCHEMBL13260361 0.84 UGCG (0.63) UGCGCYP3A4HDAC8
SCHEMBL13260983 0.83 UGCG (0.63) UGCGCYP3A4HDAC8
SCHEMBL3805632 0.82 UGCG (0.55) UGCGCYP3A4
SCHEMBL21570377 0.82 UGCG (1.00) UGCGCYP3A4
SCHEMBL13260130 0.82 UGCG (1.00) UGCGCYP3A4
SCHEMBL13260138 0.82 UGCG (1.00) UGCGCYP3A4

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-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed