SCHEMBL15316646

SCHEMBL15316646

CCCCCC1CCC(c2ccc(C3C=CC(c4ccc(OCC)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRL1 P41146 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
SCHEMBL30450387 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL1574929 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7728037 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7728045 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7728041 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL2604707 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL3269906 0.93 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL8455394 0.92 MAPT (0.38) GAAMAPTMEN1KMT2ANPC1
SCHEMBL9406329 0.92 MAPT (0.38) GAAMAPTMEN1KMT2ANPC1
SCHEMBL9405950 0.92 MAPT (0.36) GAAMAPTMEN1KMT2ANPC1

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