SCHEMBL11068459

SCHEMBL11068459

C=CCc1ccc(CC=C)c(OC(=O)C=C)c1OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
THRA P10827 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 0.35
PTGS1 P23219 1/20 0.34
SRD5A1 P18405 1/20 0.34
MAPT P10636 1/20 0.34
ELANE P08246 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11046668 0.89 GABRA1 (0.46) THRBTHRAALDH1A1GABRA1GABRB2
SCHEMBL11062459 0.80 THRB (0.39) THRBTHRAALDH1A1CYP3A4TSHR
SCHEMBL11063477 0.78 THRB (0.39) THRBTHRAALDH1A1GABRA1GABRB2
SCHEMBL311912 0.77 THRA (0.60) THRBTHRAALDH1A1TSHRELANE
SCHEMBL11062497 0.76 ELANE (0.38) THRBTHRAALDH1A1CYP3A4TSHR
SCHEMBL11781028 0.74 PTGS1 (0.52) ALDH1A1TSHRPTGDRPTGDR2ALOX5
SCHEMBL311913 0.73 THRB (0.64) THRBALDH1A1CYP3A4TSHRGABRA1
SCHEMBL21620956 0.73 KDM4E (0.47) ALOX5PTGS1SRD5A1MAPTELANE
SCHEMBL9771547 0.70 KDM4E (0.48) ALDH1A1CYP3A4GABRA1GABRB2ALOX5
SCHEMBL15302145 0.69 TYMS (0.43) THRBTHRAALDH1A1CYP3A4MAPT

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-4468524-A Alkenylphenyl substituted acrylates or methacrylates CIBA-GEIGY CORPORATION (US) 1984-08-28 US disclosed
US-4387204-A Self-crosslinkable monomer composition containing alkenylphenyl substituted acrylates or methacrylates CIBA-GEIGY CORPORATION (US) 1983-06-07 US disclosed
EP-0038300-A1 Polymerisable composition and (meth)acrylic ester CIBA-GEIGY AG (CH) 1981-10-21 EP disclosed