SCHEMBL15316587

SCHEMBL15316587

CCCCC1C=CC(C2CCC(c3ccc(CCCOc4ccc(C)c(F)c4C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.35
SPHK2 Q9NRA0 7/20 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
SCHEMBL15220862 0.92 SPHK1 (0.35) SPHK1SPHK2
SCHEMBL21182934 0.79 SPHK1 (0.33) SPHK1
SCHEMBL15318593 0.79 SPHK1 (0.40) SPHK1SPHK2
SCHEMBL15316584 0.78 SPHK1 (0.46) SPHK1SPHK2
SCHEMBL15316530 0.77
SCHEMBL15220695 0.76
SCHEMBL15316535 0.76
SCHEMBL15339476 0.75
SCHEMBL16487896 0.74 HRH3 (0.33)
SCHEMBL15220805 0.72

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