SCHEMBL18175624

SCHEMBL18175624

CCCCCOc1ccc(OC(=O)c2ccc(C3=CCC(c4ccc(OCC)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
CYP2C9 P11712 1/20 0.33
THRB P10828 2/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.31
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
THRA P10827 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL18175604 1.00 CNR2 (0.33) CNR2CNR1CYP2C9THRBPTPN1
SCHEMBL18175668 0.99 CNR1 (0.34) CNR2CNR1CYP2C9THRBPTPN1
SCHEMBL15381828 0.97 SCN9A (0.33) CNR2CNR1CYP2C9MEN1KMT2A
SCHEMBL15381621 0.97 SCN9A (0.33) CNR2CNR1CYP2C9MEN1KMT2A
SCHEMBL18175657 0.97 CNR1 (0.35) CNR2CNR1CYP2C9THRBPTPN1
SCHEMBL18175601 0.97 CNR1 (0.35) CNR2CNR1CYP2C9THRBPTPN1
SCHEMBL15381756 0.96 SCN9A (0.34) CNR2CNR1CYP2C9SCN9A
SCHEMBL15381738 0.96 SCN9A (0.34) CNR2CNR1CYP2C9SCN9A
SCHEMBL15381794 0.95 CNR1 (0.31) CNR2CNR1MEN1KMT2A
SCHEMBL15381549 0.95 CNR1 (0.31) CNR2CNR1MEN1KMT2A

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-2479162-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed