SCHEMBL8326863

SCHEMBL8326863

C=CC(=O)NC(O)C(=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.44
HPGD P15428 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
ACACB O00763 2/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TGM2 P21980 1/20 0.32
CYP2C19 P33261 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL9316240 0.95 TSHR (0.40) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL7889412 0.90 TSHR (0.53) TSHRHPGDZDHHC20ZDHHC2HCAR2
Methoxymethane SCHEMBL6651651 0.87 TSHR (0.50) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL7889404 0.85 TSHR (0.49) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL7897232 0.85 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL9257784 0.85 TSHR (0.40) TSHRHPGDZDHHC20ZDHHC2ACACB
Ether SCHEMBL9640045 0.84 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL11121188 0.83 TSHR (0.46) TSHRACACBALDH1A1MAPK1TDP1
Methoxymethane SCHEMBL9257609 0.82 TSHR (0.44) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL26478883 0.82 TSHR (0.48) TSHRHPGDZDHHC20ZDHHC2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981648-A CURABLE LATEX COMPOSITION COMPRISING AN EMULSION IN AN AQUEOUS MEDIUM; DOES NOT LIBERATE FORMALDEHYDE ON CURING; COATINGS AL CHEM & CY US ACQUICO, INC. 1999-11-09 US disclosed
EP-0224736-B1 Curable compositions AMERICAN CYANAMID CO (US) 1994-04-06 EP disclosed
EP-0224736-A2 Curable compositions AMERICAN CYANAMID COMPANY (US) 1987-06-10 EP disclosed
US-4443623-A Preparation of predominately methyl acrylamidoglycolate methyl ether in a normally liquid product AMERICAN CYANAMID COMPANY (US) 1984-04-17 US disclosed