SCHEMBL19416593

SCHEMBL19416593

CCCN(CCCO)C(=O)C1=CC2=CC=C(c3ccc(CCC(=O)OCC(C)C)cc3)CC2NC(N)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31

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
SCHEMBL19416326 0.93 — —
SCHEMBL19416347 0.85 — —
SCHEMBL19416376 0.80 TLR8 (0.37) —
SCHEMBL19416589 0.79 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL15628426 0.73 TLR8 (0.49) —
SCHEMBL19416313 0.72 TLR8 (0.36) —
SCHEMBL1588850 0.72 TLR8 (0.58) —
SCHEMBL19416486 0.71 TLR8 (0.37) —
SCHEMBL19416583 0.70 — —
SCHEMBL19416445 0.70 TLR8 (0.34) —

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-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 — — EP disclosed
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