SCHEMBL13328600

SCHEMBL13328600

CCCC1CCC(C2CCC(c3ccc4cc(OCC)c(F)c(F)c4c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.32
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL13328561 0.96 OPRL1 (0.33) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13328515 0.88 ALDH1A1 (0.31) CYP2C9ALDH1A1MAPT
SCHEMBL17997296 0.85 OPRL1 (0.38) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17532132 0.84
SCHEMBL4400193 0.84 CYP2C9 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL427347 0.84 CYP2C9 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15203882 0.84 CYP2C9 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17614853 0.84 CYP2C9 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1311026 0.84 CYP2C9 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12706520 0.84 CYP2C9 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT

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-7718232-B2 Nematic liquid crystal composition and liquid crystal display element that used the composition DAINIPPON INK & CHEMICAL, INC. (JP) 2010-05-18 US disclosed
US-20080149889-A1 Nematic Liquid Crystal Composition and Liquid Crystal Display Element That Used the Composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-06-26 US disclosed