SCHEMBL15316637

SCHEMBL15316637

CCCCC1CCC(C2C=CC(C3CCC(c4ccc(C)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.36
CYP1A2 P05177 2/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15316634 0.96 OPRL1 (0.35) OPRL1MEN1GAAKMT2AMAPT
SCHEMBL15316636 0.93 OPRL1 (0.37) OPRL1MEN1MAPK1KMT2AMAPT
SCHEMBL12386950 0.91 OPRL1 (0.39) OPRL1CYP1A2MEN1GAAMAPK1
SCHEMBL30946 0.90 OPRL1 (0.41) OPRL1CYP1A2MEN1GAAMAPK1
SCHEMBL15316521 0.89 CYP1A2 (0.30) CYP1A2
SCHEMBL15220804 0.89
SCHEMBL10021993 0.88
SCHEMBL12140862 0.87 OPRL1 (0.38) OPRL1CYP1A2MEN1GAAMAPK1
SCHEMBL13110480 0.87 OPRL1 (0.38) OPRL1CYP1A2MEN1GAAMAPK1
SCHEMBL15316518 0.86

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