SCHEMBL15318593

SCHEMBL15318593

CCCCC1C=CC(C2CCC(c3ccc(CCCOc4ccc(C)cc4)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
RAB9A P51151 1/20 0.40
S1PR1 P21453 1/20 0.36
SPHK2 Q9NRA0 7/20 0.36
CYP2C9 P11712 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL15316584 0.94 SPHK1 (0.46) SPHK1RAB9AS1PR1SPHK2
SCHEMBL15221014 0.87 MAOB (0.37) SPHK1RAB9ASPHK2CYP2C9HRH3
SCHEMBL21182938 0.84 S1PR1 (0.39) SPHK1RAB9AS1PR1CYP2C9HRH3
SCHEMBL15318591 0.83 MAOB (0.39) RAB9AHRH3
SCHEMBL15219933 0.83 SPHK1 (0.46) SPHK1SPHK2HRH3
SCHEMBL15220705 0.81 DRD2 (0.45) SPHK1RAB9ACYP2C9HRH3DRD2
SCHEMBL15318564 0.81 DRD2 (0.36) RAB9ACYP2C9HRH3DRD2DRD4
SCHEMBL15316587 0.79 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL15203890 0.77 DRD2 (0.44) SPHK1RAB9ACYP2C9HRH3DRD2
SCHEMBL15203892 0.77 DRD2 (0.44) SPHK1RAB9ACYP2C9HRH3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090825-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-07-28 US disclosed
US-8956552-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-20130270480-A1 CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION 2013-10-17 US disclosed