SCHEMBL19861671

SCHEMBL19861671

CCC(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
SMYD3 Q9H7B4 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
SCHEMBL2760156 0.91 CYP3A4 (0.36) CYP3A4
SCHEMBL2736144 0.90 CYP3A4 (0.36) CYP3A4
SCHEMBL14308343 0.89 CYP3A4 (0.35) CYP3A4
SCHEMBL13770950 0.84 CYP3A4 (0.35) CYP3A4
SCHEMBL19861660 0.80 CYP3A4 (0.48) CYP3A4
SCHEMBL18532020 0.77 CYP3A4 (0.38) CYP3A4
SCHEMBL10201390 0.75 CYP3A4 (0.37) CYP3A4
SCHEMBL2736141 0.73 CYP3A4 (0.36) CYP3A4
SCHEMBL2760182 0.70 CYP3A4 (0.40) CYP3A4
SCHEMBL10202546 0.69 CYP3A4 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed