SCHEMBL9075385

SCHEMBL9075385

CCCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4F)cc3)(c3ccc(Oc4ccc(N)cc4F)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.42
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
SPHK2 Q9NRA0 7/20 0.36

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
SCHEMBL9075574 0.99 SPHK1 (0.44) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9075906 0.99 SPHK1 (0.44) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9074215 0.99 SPHK1 (0.44) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9076142 0.97 S1PR1 (0.42) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9075398 0.94 SPHK1 (0.42) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9074412 0.94 SPHK1 (0.44) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9277336 0.94 SPHK1 (0.44) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9074567 0.94 SPHK1 (0.44) SPHK1S1PR1S1PR3SPHK2
SCHEMBL9073818 0.93 S1PR1 (0.35) SPHK1S1PR1S1PR3
SCHEMBL9075258 0.91 S1PR1 (0.42) SPHK1S1PR1S1PR3SPHK2

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