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SCHEMBL19255358

SCHEMBL19255358

C[C@@H]1CCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CTSB P07858 1/20 0.32

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
SCHEMBL15685815 0.91 CYP3A4 (0.45) CYP3A4
SCHEMBL18155972 0.91 CYP3A4 (0.45) CYP3A4
SCHEMBL12731025 0.91 CYP3A4 (0.41) CYP3A4CTSB
SCHEMBL15706019 0.90 CYP3A4 (0.39) CYP3A4CTSB
SCHEMBL16024411 0.89 CYP3A4 (0.41) CYP3A4CTSB
SCHEMBL8383007 0.87 CYP3A4 (0.40) CYP3A4CTSB
SCHEMBL8162555 0.86 CYP3A4 (0.38) CYP3A4CTSB
SCHEMBL15672735 0.85 CYP3A4 (0.37) CYP3A4
SCHEMBL19483139 0.84 CYP3A4 (0.41) CYP3A4
SCHEMBL2632378 0.83 CYP3A4 (0.46) CYP3A4CTSB

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
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 — — EP disclosed
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