SCHEMBL9764276

SCHEMBL9764276

CCCCCCCCCCCCOC(=O)CCSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
TSHR P16473 2/20 0.53
HTR2C P28335 1/20 0.51
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.49
NAAA Q02083 1/20 0.49
DGKA P23743 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLA2G4B P0C869 1/20 0.48
POLB P06746 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
SCHEMBL20545270 0.87 ALDH1A1 (0.58) ALDH1A1LMNATSHRCYP3A4MAPK1
SCHEMBL25600274 0.85 ALDH1A1 (0.51) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL9763783 0.85 ATM (0.52) ALDH1A1LMNATSHRHTR2CTP53
SCHEMBL15024877 0.83 PPARA (0.48) ALDH1A1LMNATSHRMAPK1ATM
Phenol SCHEMBL28114085 0.83 PLA2G4B (0.56) ALDH1A1LMNATSHRHTR2CTP53
SCHEMBL7344673 0.83 ALDH1A1 (0.61) ALDH1A1LMNACYP3A4MAPK1ATM
SCHEMBL12471327 0.82 ALDH1A1 (0.60) ALDH1A1LMNAATMTDP1L3MBTL1
SCHEMBL9763763 0.82 CYP2C19 (0.53) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL9008262 0.81 PLA2G4B (0.53) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL7862175 0.80 MEN1 (0.57) ALDH1A1LMNATSHRCYP3A4MAPK1

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