SCHEMBL9148124

SCHEMBL9148124

CCCCCCCCCCOc1ccc(-c2ccc(OCCC[C@@H](C)CC)c(F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTPN11 Q06124 5/20 0.42
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR2 O95136 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
MGLL Q99685 4/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL9148568 0.94 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9221987 0.94 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9148458 0.94 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9149720 0.94 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9150048 0.94 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9150144 0.92 RARB (0.46) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9149632 0.91 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9752264 0.91 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9150071 0.91 RARB (0.45) THRATHRBPTPN11S1PR1S1PR3
SCHEMBL9407107 0.90 RARB (0.39) THRATHRBPTPN11S1PR1S1PR3

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 3 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 disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed