SCHEMBL7909627

SCHEMBL7909627

C/C=C\CCCC1CCC(C2CCC(c3ccc(-c4ccc(CCCCF)cc4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.38
SPHK2 Q9NRA0 7/20 0.34
FFAR4 Q5NUL3 3/20 0.31
ESR2 Q92731 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
SCHEMBL7909634 1.00 SPHK1 (0.38) SPHK1SPHK2FFAR4ESR2
SCHEMBL7909631 1.00 SPHK1 (0.38) SPHK1SPHK2FFAR4ESR2
SCHEMBL7909622 1.00 SPHK1 (0.38) SPHK1SPHK2FFAR4ESR2
SCHEMBL7916145 0.86 ESR2 (0.33) SPHK1ESR2
SCHEMBL7916142 0.86 ESR2 (0.33) SPHK1ESR2
SCHEMBL7916130 0.86 ESR2 (0.33) SPHK1ESR2
SCHEMBL7916137 0.86 ESR2 (0.33) SPHK1ESR2
SCHEMBL7916306 0.85 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL7916310 0.85 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL7916312 0.85 SPHK1 (0.50) SPHK1SPHK2

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