SCHEMBL7910867

SCHEMBL7910867

CCCCCCCc1ccc(C2CCC(C3CCC(C4CCC(CCCCCCCCF)CC4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.58
SPHK2 Q9NRA0 7/20 0.51
HTR2A P28223 1/20 0.41
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP2C9 P11712 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL7910859 1.00 SPHK1 (0.58) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7910873 1.00 SPHK1 (0.58) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7910862 1.00 SPHK1 (0.58) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7916299 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7909820 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7916294 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7909830 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7909816 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7909825 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4
SCHEMBL7916298 0.99 SPHK1 (0.56) SPHK1SPHK2HTR2AS1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed