SCHEMBL11038902

SCHEMBL11038902

C=CC(=O)NC(O)C(=O)OCC(C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
MAPT P10636 1/20 0.36
ACACB O00763 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL11118193 0.95 TSHR (0.46) TSHRMAPTACACBALDH1A1MAPK1
SCHEMBL7897232 0.83 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL11118191 0.82 TSHR (0.47) TSHRMAPTACACBALDH1A1MAPK1
SCHEMBL11121188 0.81 TSHR (0.46) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL3683866 0.80 TSHR (0.52) TSHRACACBALDH1A1MAPK1TDP1
Methoxymethane SCHEMBL9257609 0.80 TSHR (0.44) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL8326863 0.80 TSHR (0.44) TSHRMAPTACACBALDH1A1MAPK1
SCHEMBL1794180 0.79 MAPT (0.44) TSHRMAPTACACBALDH1A1MAPK1
Methoxymethane SCHEMBL9286944 0.79 TSHR (0.42) TSHRMAPTACACBALDH1A1MAPK1
Ether SCHEMBL9252409 0.79 TSHR (0.42) TSHRACACBALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446280-A ALKYL ACRYLAMIDOGLYCOLATE ETHER POLYMER AMERICAN CYANAMID COMPANY (US) 1984-05-01 US disclosed