SCHEMBL9075258

SCHEMBL9075258

CCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4)c(F)c3)(c3ccc(Oc4ccc(N)cc4)c(F)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
SPHK1 Q9NYA1 10/20 0.38
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 4/20 0.34
SPHK2 Q9NRA0 6/20 0.33

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
SCHEMBL9075398 0.97 SPHK1 (0.42) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9277336 0.96 SPHK1 (0.44) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9074567 0.96 SPHK1 (0.44) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9074412 0.96 SPHK1 (0.44) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9076142 0.94 S1PR1 (0.42) S1PR1S1PR3SPHK1OPRM1OPRD1
SCHEMBL9074633 0.94 S1PR1 (0.35) S1PR1S1PR3SPHK1OPRM1OPRD1
SCHEMBL9075385 0.91 SPHK1 (0.42) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9075574 0.91 SPHK1 (0.44) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9074215 0.91 SPHK1 (0.44) S1PR1S1PR3SPHK1SPHK2
SCHEMBL9075906 0.91 SPHK1 (0.44) S1PR1S1PR3SPHK1SPHK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545444-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1996-08-13 US disclosed
US-5430195-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-07-04 US disclosed
US-5414126-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-05-09 US disclosed