SCHEMBL7909919

SCHEMBL7909919

C=CCC1CCC(c2ccc(-c3ccc(CCC4CCC(CCCCCF)CC4)cc3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
ESR2 Q92731 2/20 0.33
GPR84 Q9NQS5 1/20 0.32
SPHK2 Q9NRA0 7/20 0.31
ALOX5 P09917 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
SCHEMBL7909912 1.00 SPHK1 (0.34) SPHK1ESR2GPR84SPHK2ALOX5
SCHEMBL7912792 0.85 SPHK1 (0.40) SPHK1ESR2SPHK2
SCHEMBL7910153 0.84 SPHK1 (0.42) SPHK1ESR2SPHK2
SCHEMBL7910157 0.84 SPHK1 (0.42) SPHK1ESR2SPHK2
SCHEMBL7910097 0.83 CYP2C9 (0.45) SPHK1ESR2SPHK2
SCHEMBL7910102 0.83 CYP2C9 (0.45) SPHK1ESR2SPHK2
SCHEMBL7910103 0.83 ESR2 (0.37) ESR2
SCHEMBL7910109 0.83 ESR2 (0.37) ESR2
SCHEMBL7910815 0.81 SPHK1 (0.37) SPHK1SPHK2
SCHEMBL7910818 0.81 SPHK1 (0.37) 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