SCHEMBL15219933

SCHEMBL15219933

CCCCCc1ccc(OCc2ccc(C3CCC(C4C=CC(CCC)CC4)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.46
HRH3 Q9Y5N1 2/20 0.43
SPHK2 Q9NRA0 7/20 0.41
FFAR4 Q5NUL3 1/20 0.37

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 0.89 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL15318591 0.89 MAOB (0.39) HRH3
SCHEMBL15221014 0.88 MAOB (0.37) SPHK1HRH3SPHK2
SCHEMBL15318593 0.83 SPHK1 (0.40) SPHK1HRH3SPHK2
SCHEMBL16487891 0.82 ACACB (0.36) SPHK1HRH3
SCHEMBL15221038 0.79 DRD2 (0.47)
SCHEMBL15203892 0.78 DRD2 (0.44) SPHK1HRH3
SCHEMBL15203891 0.78 DRD2 (0.44) SPHK1HRH3
SCHEMBL15203890 0.78 DRD2 (0.44) SPHK1HRH3
SCHEMBL11160551 0.78 SPHK1 (0.56) SPHK1HRH3SPHK2

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 4 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
EP-2631225-A1 CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2013-08-28 EP disclosed