SCHEMBL13370836

SCHEMBL13370836

C=CC(=O)NC(CC)CN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 2/20 0.32
CYP2C19 P33261 1/20 0.32

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
Hydrochloric Acid SCHEMBL13370823 0.98 TSHR (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5170699 0.84 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28415012 0.84 TSHR (0.44) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28891114 0.81 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL25250018 0.80 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL4759787 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2938364 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL21909974 0.79 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24492522 0.78 TSHR (0.43) TSHRACACB
SCHEMBL6245506 0.77 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773540-A High molecular weight amphoteric polyacrylamide and preparation method thereof 苏州派凯姆新能源科技有限公司 2022-07-22 CN claimed
CN-114773540-A High molecular weight amphoteric polyacrylamide and preparation method thereof 苏州派凯姆新能源科技有限公司 2022-07-22 CN disclosed
EP-2514771-A1 RESIN MODIFIER Kao Corporation (JP) 2012-10-24 EP disclosed