SCHEMBL4591970

SCHEMBL4591970

C=CC(=O)OCCOC(OCCOC(=O)C=C)(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TSHR P16473 7/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.36
CHRM2 P08172 5/20 0.35
CHRM1 P11229 5/20 0.35
CHRM3 P20309 5/20 0.35
CYP3A4 P08684 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
CHRM4 P08173 4/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10437472 0.78 THRB (0.56) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4591972 0.78 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17320925 0.78 THRB (0.59) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL11515387 0.76 TRPA1 (0.38) ALDH1A1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL6537025 0.76 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL22047091 0.74 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL5070208 0.74 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL23412734 0.73 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9848771 0.73 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL24709495 0.73 THRB (0.60) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1913103-A1 STRONGLY ADHERENT COATINGS Ciba Specialty Chemicals Holding Inc. (CH) 2008-04-23 EP claimed
WO-2007020187-A1 STRONGLY ADHERENT COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-02-22 WO claimed
EP-1902078-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION Ciba Specialty Chemicals Holding, Inc. (CH) 2008-03-26 EP disclosed
EP-1902019-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-03-26 EP disclosed
EP-1836002-A2 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS Ciba Specialty Chemicals Holding Inc. (CH) 2007-09-26 EP disclosed
WO-2007006648-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-18 WO disclosed
WO-2007003507-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 WO disclosed
WO-2006067061-A2 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-29 WO disclosed