SCHEMBL9316240

SCHEMBL9316240

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ACACB O00763 2/20 0.32
THRB P10828 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
TGM2 P21980 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8326863 0.95 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9257784 0.90 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7889404 0.88 TSHR (0.49) TSHRHPGDALDH1A1HSD17B10ZDHHC20
SCHEMBL7889412 0.85 TSHR (0.53) TSHRHPGDALDH1A1ZDHHC20ZDHHC2
Ether SCHEMBL9640045 0.83 TSHR (0.47) TSHRHPGDALDH1A1HSD17B10ZDHHC20
Methoxymethane SCHEMBL6651651 0.83 TSHR (0.50) TSHRHPGDALDH1A1HSD17B10ZDHHC20
SCHEMBL9000275 0.81 TSHR (0.45) TSHRHPGDALDH1A1HSD17B10ZDHHC20
SCHEMBL7897232 0.81 TSHR (0.47) TSHRHPGDALDH1A1HSD17B10ZDHHC20
Ether SCHEMBL9252409 0.80 TSHR (0.42) TSHRALDH1A1ZDHHC20ZDHHC2ACACB
SCHEMBL11121188 0.79 TSHR (0.46) TSHRALDH1A1HSD17B10ACACBTGM2

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