SCHEMBL9220795

SCHEMBL9220795

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OC[C@@H](C)CC)cc3)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.45
RARA P10276 1/20 0.45
PTPN11 Q06124 2/20 0.42
NR5A1 Q13285 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
FAAH O00519 7/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL10592702 0.94 PTPN11 (0.46) RARBPTPN11NR5A1PLA2G4BS1PR1
SCHEMBL9230366 0.91 RARB (0.45) RARBRARAPTPN11NR5A1CYP3A4
SCHEMBL9224177 0.91 RARB (0.45) RARBRARAPTPN11NR5A1CYP3A4
SCHEMBL10527704 0.88 RARB (0.46) RARBRARAPTPN11NR5A1CYP3A4
SCHEMBL9225589 0.88 RARB (0.49) RARBRARACYP3A4S1PR1S1PR3
SCHEMBL9152228 0.87 RARB (0.46) RARBRARAPTPN11NR5A1CYP3A4
SCHEMBL10742871 0.86 RARB (0.55) RARBNR5A1PLA2G4BCYP3A4CYP2D6
SCHEMBL10742881 0.86 RARB (0.55) RARBNR5A1PLA2G4BCYP3A4CYP2D6
SCHEMBL10746875 0.86 RARB (0.55) RARBNR5A1PLA2G4BCYP3A4CYP2D6
SCHEMBL10746897 0.86 RARB (0.55) RARBNR5A1PLA2G4BCYP3A4CYP2D6

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-5382380-A Ferroelectric material for displays KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-01-17 US disclosed
EP-0360042-B1 p-Terphenyl derivatives and liquid crystalline compositions KANTO KAGAKU (JP) 1993-11-03 EP disclosed