SCHEMBL9148458

SCHEMBL9148458

CCCCCCCCCCOc1ccc(-c2ccc(OCCC[C@@H](C)CC)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
RARA P10276 1/20 0.45
PTPN11 Q06124 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NR5A1 Q13285 1/20 0.40
FAAH O00519 6/20 0.40
S1PR1 P21453 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
S1PR2 O95136 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL9221987 1.00 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9149720 1.00 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9148568 1.00 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9150048 1.00 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9150144 0.99 RARB (0.46) RARBRARAPTPN11THRATHRB
SCHEMBL9752264 0.98 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9149632 0.98 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9150071 0.98 RARB (0.45) RARBRARAPTPN11THRATHRB
SCHEMBL9149318 0.94 RARB (0.46) RARBRARAPTPN11THRATHRB
SCHEMBL9148124 0.94 THRA (0.44) PTPN11THRATHRBS1PR1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US claimed
JP-1250335-A None JP disclosed
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
JP-H01250335-A BIPHENYL COMPOUND KANTO CHEM CO INC 1989-10-05 JP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed