SCHEMBL13902236

SCHEMBL13902236

CCCCCCCCCC/C=C/c1c(OC)c(C)cc(C=O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 5/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ FAAH O00519 3/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ SLC37A4 O43826 1/20 0.35
▸ CNR1 P21554 3/20 0.34
▸ TK1 P04183 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CNR2 P34972 2/20 0.34

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
SCHEMBL3900081 0.86 GALK1 (0.40) CCR5OPRM1FAAHTRPV1SLC37A4
SCHEMBL3900078 0.86 GALK1 (0.40) CCR5OPRM1FAAHTRPV1SLC37A4
SCHEMBL13902230 0.79 EPHX2 (0.41) TRPV1SLC37A4CNR1EPHX2CNR2
SCHEMBL13562270 0.69 TOP2A (0.44) TRPV1EPHX2
SCHEMBL545922 0.68 PTGS2 (0.45) —
SCHEMBL3915410 0.68 OPRM1 (0.57) CCR5OPRM1FAAHTRPV1
SCHEMBL3915407 0.68 OPRM1 (0.57) CCR5OPRM1FAAHTRPV1
SCHEMBL15690210 0.67 HTR1A (0.56) —
SCHEMBL15690211 0.67 HTR1A (0.56) —
SCHEMBL25342401 0.67 PRKDC (0.40) —

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-1681280-B1 NOVEL PHENOL DERIVATIVES AND ANTITRYPANOSOMA PREVENTIVE/THERAPEUTIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ARIGEN PHARMACEUTICALS INC (JP) 2009-03-25 — — EP disclosed
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