SCHEMBL9074181

SCHEMBL9074181

CCCCCCc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)(c3ccc(Oc4ccc(N)cc4C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.42
SPHK2 Q9NRA0 7/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL9074588 1.00 SPHK1 (0.42) SPHK1SPHK2S1PR1
SCHEMBL9074704 1.00 SPHK1 (0.42) SPHK1SPHK2S1PR1
SCHEMBL9074573 0.99 SPHK1 (0.40) SPHK1SPHK2S1PR1
SCHEMBL9074011 0.96 S1PR1 (0.37) SPHK1SPHK2S1PR1
SCHEMBL9074823 0.95 SPHK1 (0.42) SPHK1SPHK2S1PR1
SCHEMBL9074539 0.95 SPHK1 (0.42) SPHK1SPHK2S1PR1
SCHEMBL9073830 0.95 SPHK1 (0.42) SPHK1SPHK2S1PR1
SCHEMBL9075043 0.94 SPHK1 (0.40) SPHK1SPHK2S1PR1
SCHEMBL9074187 0.93 AR (0.32) SPHK1S1PR1
SCHEMBL9073265 0.91 SPHK1 (0.36) SPHK1SPHK2S1PR1

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