SCHEMBL7910962

SCHEMBL7910962

C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(CCCF)cc4)CC3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
ESR2 Q92731 2/20 0.35
SPHK2 Q9NRA0 7/20 0.33
DGAT1 O75907 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7910956 1.00 SPHK1 (0.37) SPHK1ESR2SPHK2DGAT1CYP2C9
SCHEMBL7910953 1.00 SPHK1 (0.37) SPHK1ESR2SPHK2DGAT1CYP2C9
SCHEMBL7910950 1.00 SPHK1 (0.37) SPHK1ESR2SPHK2DGAT1CYP2C9
SCHEMBL7909681 0.88 ESR2 (0.36) SPHK1ESR2SPHK2DGAT1CYP2C9
SCHEMBL7909678 0.88 ESR2 (0.36) SPHK1ESR2SPHK2DGAT1CYP2C9
SCHEMBL7909686 0.88 ESR2 (0.36) SPHK1ESR2SPHK2DGAT1CYP2C9
SCHEMBL7912927 0.87 ESR2 (0.39) SPHK1ESR2DGAT1CYP2C9
SCHEMBL7912923 0.87 ESR2 (0.39) SPHK1ESR2DGAT1CYP2C9
SCHEMBL7912579 0.85 SPHK1 (0.36) SPHK1ESR2SPHK2
SCHEMBL7912583 0.85 SPHK1 (0.36) SPHK1ESR2SPHK2

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