SCHEMBL28938243

SCHEMBL28938243

C=CC(=O)NCC(=C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TGM2 P21980 5/20 0.36
LMNA P02545 1/20 0.33
TET2 Q6N021 4/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
PSMB5 P28074 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL10380939 0.81
SCHEMBL13056753 0.80 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ALOX15
SCHEMBL2028291 0.80 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ALOX15
Methacrylic Acid SCHEMBL4373665 0.78 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TDP1ALOX15
SCHEMBL166492 0.78 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ALOX15
SCHEMBL28715 0.78
SCHEMBL1488043 0.78 TSHR (0.65) TSHRALDH1A1MAPK1TDP1ALOX15
SCHEMBL25806 0.78
SCHEMBL8497674 0.76 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1ALOX15
SCHEMBL15263809 0.76

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
CN-114335895-A Functional layer material for coating lithium ion battery diaphragm 浙江杰特维新材料有限公司 2022-04-12 CN disclosed