SCHEMBL9075458

SCHEMBL9075458

CCCCCCCCc1cccc(C2CCC(c3ccc(Oc4ccc(N)cc4C)cc3)(c3ccc(Oc4ccc(N)cc4C)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
S1PR3 Q99500 1/20 0.33
HTR2A P28223 1/20 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
SCHEMBL9075380 1.00 SPHK1 (0.34) SPHK1S1PR3HTR2A
SCHEMBL9073242 1.00 SPHK1 (0.34) SPHK1S1PR3HTR2A
SCHEMBL9074180 0.99 BACE1 (0.33) SPHK1S1PR3
SCHEMBL9073213 0.96 BACE1 (0.32) S1PR3
SCHEMBL9073206 0.93 SPHK1 (0.35) SPHK1S1PR3
SCHEMBL9074805 0.93 SPHK1 (0.35) SPHK1S1PR3
SCHEMBL9074327 0.93 SPHK1 (0.35) SPHK1S1PR3
SCHEMBL9075289 0.93 DRD2 (0.37)
SCHEMBL9075475 0.92 SPHK1 (0.33) SPHK1S1PR3
SCHEMBL9075285 0.90 SPHK1 (0.45) SPHK1

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