SCHEMBL9500856

SCHEMBL9500856

CCCCCCCCOc1ccc(-c2ccc(C(=O)O[C@H](CC)c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.61
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G4B P0C869 7/20 0.53
PLA2G4A P47712 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLK1 P53350 1/20 0.47

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
SCHEMBL91878 1.00 RARB (0.61) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9500186 0.96 TSHR (0.58) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL17577041 0.96 RARB (0.54) RARBTSHRTP53PLA2G4B
SCHEMBL9502178 0.95 TSHR (0.56) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9502153 0.94 RARB (0.61) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9500251 0.90 TSHR (0.58) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9498466 0.90 RARB (0.56) RARBTSHRTP53PLA2G4BPLA2G4A
SCHEMBL9500696 0.88 RARB (0.54) RARBTSHRTP53PLA2G4BLMNA
SCHEMBL9498358 0.88 RARB (0.54) RARBTSHRTP53PLA2G4BLMNA
SCHEMBL14070882 0.87 RARB (0.62) RARBTSHRTP53PLA2G4BPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2048555-A None JP disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
WO-2010095493-A1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EACH COMPRISING SAME チッソ株式会社 (JP) 2010-08-26 WO disclosed
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
JP-H0248555-A 1-PHENYL-1-PROPANOL DERIVATIVE CHISSO CORP 1990-02-19 JP disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed