SCHEMBL19722089

SCHEMBL19722089

CCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCCOC)CC4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40
FFAR4 Q5NUL3 2/20 0.35
OPRL1 P41146 4/20 0.35
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 2/20 0.35
SPHK1 Q9NYA1 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8214806 0.94 RARB (0.39) RARBRARARARGFFAR4OPRL1
SCHEMBL8211949 0.90 OPRL1 (0.35) RARBFFAR4OPRL1
SCHEMBL21321659 0.90 RARB (0.45) RARBRARARARGFFAR4OPRL1
SCHEMBL8216736 0.87 OPRL1 (0.35) FFAR4OPRL1
SCHEMBL21322023 0.85 SPHK1 (0.41) RARBRARARARGFFAR4SPHK1
SCHEMBL19722450 0.85 SPHK1 (0.41) RARBRARARARGFFAR4SPHK1
SCHEMBL21321916 0.85 RARB (0.44) RARBRARARARGFFAR4SPHK1
SCHEMBL19722088 0.84 RARB (0.42) RARBRARARARGFFAR4OPRL1
SCHEMBL8267397 0.83 OPRL1 (0.41) FFAR4OPRL1ALDH1A1
SCHEMBL8216702 0.83 OPRL1 (0.35) RARBFFAR4OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 EP disclosed