SCHEMBL7910052

SCHEMBL7910052

Cc1ccc(-c2ccc(CCc3ccc(C4CCC(CCCF)CC4)cc3F)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL7910046 1.00 FFAR4 (0.35) FFAR4MAOBCYP1A2CYP2A6TAAR1
SCHEMBL7912847 0.87 SPHK1 (0.39) MAOBCYP1A2CYP2A6TAAR1SPHK1
SCHEMBL7912843 0.87 SPHK1 (0.39) MAOBCYP1A2CYP2A6TAAR1SPHK1
SCHEMBL7912856 0.80 CYP2C9 (0.35) SPHK1
SCHEMBL7912862 0.80 CYP2C9 (0.35) SPHK1
SCHEMBL9399567 0.80 SPHK1 (0.49) SPHK1
SCHEMBL10379787 0.79 RARB (0.41) FFAR4SPHK1
SCHEMBL7912737 0.79 SPHK1 (0.43) FFAR4SPHK1
SCHEMBL7912733 0.79 SPHK1 (0.43) FFAR4SPHK1
SCHEMBL7912701 0.78 CYP2C9 (0.40) SPHK1

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