SCHEMBL15340294

SCHEMBL15340294

CCCCCC1CCC(c2ccc(C3CCC(c4ccc(C)cc4)CC3)c(C)c2F)OC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
OPRL1 P41146 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SPHK1 Q9NYA1 3/20 0.32
GAA P10253 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
SCHEMBL15340292 0.91 SPHK1 (0.39) CYP2C9OPRL1SPHK1
SCHEMBL15340303 0.84 CYP2C9 (0.38) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL15340286 0.83 OPRL1 (0.32) CYP2C9OPRL1MAPTGAA
SCHEMBL15339945 0.82 ALDH1A1 (0.34) MAPTALDH1A1GAA
SCHEMBL15340285 0.81 OPRL1 (0.34) OPRL1MAPTGAA
SCHEMBL15340058 0.81 OPRL1 (0.36) CYP2C9OPRL1MAPTALDH1A1LMNA
SCHEMBL15340390 0.80 OPRL1 (0.30) OPRL1
SCHEMBL15339944 0.80 CYP1A2 (0.33)
SCHEMBL15340060 0.80 OPRL1 (0.35) CYP2C9OPRL1MAPTALDH1A1LMNA
SCHEMBL10553488 0.79 FASN (0.38) MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102871-B2 Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-11 US disclosed
US-20130277610-A1 LIQUID CRYSTAL COMPOUND SHOWING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-24 US disclosed