SCHEMBL13360641

SCHEMBL13360641

CCCC1CCC(C2CCC(c3ccc4cc(C5CO5)c(F)c(F)c4c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.32
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
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
SCHEMBL13360616 0.97 OPRL1 (0.32) OPRL1CYP2C9
SCHEMBL13360661 0.96 OPRL1 (0.34) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL3576039 0.88 CYP2C9 (0.36) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL10051625 0.88 CYP2C9 (0.36) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL17997296 0.85 OPRL1 (0.38) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14143374 0.84
SCHEMBL13360656 0.84
SCHEMBL2606306 0.84 CYP2C9 (0.38) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL12821240 0.84 CYP2C9 (0.38) OPRL1CYP2C9KDM4ERAB9AL3MBTL1
SCHEMBL13328600 0.82 OPRL1 (0.32) 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