SCHEMBL10643266

SCHEMBL10643266

C=CCOC(=O)COC(=O)C=C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 10/20 0.45
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 3/20 0.45
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 2/20 0.34

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
SCHEMBL19273 0.84
SCHEMBL5167665 0.84 TSHR (0.54) TDP1TSHRALDH1A1HSD17B10TP53
SCHEMBL31267242 0.84 TSHR (0.54) TDP1TSHRALDH1A1HSD17B10TP53
SCHEMBL4675117 0.83 TDP1 (0.50) TDP1TSHRALDH1A1HSD17B10CYP3A4
Fluoride SCHEMBL2542918 0.81
Water SCHEMBL1079113 0.81
Ethylene SCHEMBL5184263 0.81 TSHR (0.52) TDP1TSHRALDH1A1HSD17B10TP53
Formaldehyde SCHEMBL22631565 0.81 TSHR (0.52) TDP1TSHRALDH1A1HSD17B10TP53
SCHEMBL7154947 0.81
Ethylene SCHEMBL461105 0.81 TSHR (0.52) TDP1TSHRALDH1A1HSD17B10TP53

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
US-4778869-A COATINGS, ADHESIVES, MOLDINGS AMERICAN CYANAMID COMPANY (US) 1988-10-18 US disclosed
US-4656308-A COATINGS AMERICAN CYANAMID COMPANY (US) 1987-04-07 US disclosed
EP-0049910-B1 COPOLYMERS FORMED FROM ACTIVATED ESTER MONOMERS, AND COATING COMPOSITIONS CONTAINING SAID COPOLYMERS AMERICAN CYANAMID COMPANY (US) 1986-02-19 EP disclosed
EP-0020000-B1 ACTIVATED ESTER MONOMERS, POLYMERS FORMED THEREFROM AND COATING COMPOSITIONS CONTAINING SAID POLYMERS AMERICAN CYANAMID COMPANY (US) 1983-06-15 EP disclosed
EP-0049910-A2 Copolymers formed from activated ester monomers, and coating compositions containing said copolymers AMERICAN CYANAMID COMPANY (US) 1982-04-21 EP disclosed
EP-0020000-A1 Activated ester monomers, polymers formed therefrom and coating compositions containing said polymers AMERICAN CYANAMID COMPANY (US) 1980-12-10 EP disclosed