SCHEMBL9075475

SCHEMBL9075475

CCCCCc1cccc(C2CCC(c3ccc(Oc4ccc(N)cc4C)c(C)c3)(c3ccc(Oc4ccc(N)cc4C)c(C)c3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.33
S1PR3 Q99500 1/20 0.33
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL9074327 0.99 SPHK1 (0.35) SPHK1S1PR3LPLLIPGSPHK2
SCHEMBL9074805 0.99 SPHK1 (0.35) SPHK1S1PR3LPLLIPGSPHK2
SCHEMBL9073206 0.99 SPHK1 (0.35) SPHK1S1PR3LPLLIPGSPHK2
SCHEMBL9075456 0.97 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9074613 0.93 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9074180 0.93 BACE1 (0.33) SPHK1S1PR3
SCHEMBL9075380 0.92 SPHK1 (0.34) SPHK1S1PR3
SCHEMBL9073242 0.92 SPHK1 (0.34) SPHK1S1PR3
SCHEMBL9075458 0.92 SPHK1 (0.34) SPHK1S1PR3
SCHEMBL9073213 0.90 BACE1 (0.32) S1PR3DRD2DRD1DRD4DRD5

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