SCHEMBL9316238

SCHEMBL9316238

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
ACACB O00763 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TGM2 P21980 2/20 0.32
CYP2C19 P33261 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
SCHEMBL9257778 0.90 TSHR (0.42) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL7889401 0.87 TSHR (0.51) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL9640042 0.82 TSHR (0.50) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL26478883 0.81 TSHR (0.48) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL8326863 0.81 TSHR (0.44) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL11159463 0.80 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL29236235 0.80 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL9000273 0.80 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2HCAR2
SCHEMBL9248588 0.79 TSHR (0.45) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL11041673 0.79 TSHR (0.42) TSHRHPGDZDHHC20ZDHHC2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369204-A Low molecular weight acrylamidoglycolate crosslinker and process CYTEC TECHNOLOGY CORP. (US) 1994-11-29 US 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