SCHEMBL9763763

SCHEMBL9763763

CCCCCCCCCCCCOC(=O)CCSCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
PLA2G4B P0C869 7/20 0.51
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.45

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
SCHEMBL9008262 0.88 PLA2G4B (0.53) PLA2G4BLMNATSHRALDH1A1TP53
Calcium SCHEMBL10448988 0.87 PLA2G4B (0.52) PLA2G4BLMNATSHRALDH1A1TP53
Phenol SCHEMBL28114085 0.85 PLA2G4B (0.56) PLA2G4BLMNATSHRALDH1A1TP53
SCHEMBL10782043 0.85 TSHR (0.45) PLA2G4BLMNATSHRALDH1A1TP53
SCHEMBL20819168 0.84 PPARG (0.42) CYP2C19PLA2G4BLMNATSHRALDH1A1
SCHEMBL20819171 0.84 PPARG (0.42) CYP2C19PLA2G4BLMNATSHRALDH1A1
SCHEMBL31290357 0.83 TDP1 (0.57) PLA2G4BLMNATSHRALDH1A1CYP3A4
SCHEMBL8897464 0.83 CYP2C19 (0.62) CYP2C19LMNAALDH1A1CYP3A4TDP1
SCHEMBL9764276 0.82 ALDH1A1 (0.53) PLA2G4BLMNATSHRALDH1A1TP53
O-Xylene SCHEMBL28161762 0.82 PLA2G4B (0.62) PLA2G4BLMNATSHRALDH1A1TP53

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
EP-0246190-B1 DERIVATIVES OF ISOCYANURIC ACID CIBA-GEIGY AG (CH) 1991-12-04 EP disclosed
EP-0219459-B1 SUBSTITUTED P-HYDROXYPHENYL COMPOUNDS CIBA-GEIGY AG (CH) 1990-08-01 EP disclosed
US-4863982-A HEAT, LIGHT AND OXIDATION STABILIZERS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
EP-0246190-A2 Derivatives of isocyanuric acid CIBA-GEIGY AG (CH) 1987-11-19 EP disclosed
US-4699939-A OXIDATION RESISTANCE, PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1987-10-13 US disclosed
EP-0219459-A2 Substituted p-hydroxyphenyl compounds CIBA-GEIGY AG (CH) 1987-04-22 EP disclosed