SCHEMBL28891114

SCHEMBL28891114

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ACACB O00763 2/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28415012 0.86 TSHR (0.44) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL13370836 0.81 TSHR (0.45) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL5170699 0.80 TSHR (0.56) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL13370823 0.79 TSHR (0.44) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL6566575 0.77 TAS1R3 (0.50) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL25250018 0.76 TSHR (0.52) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL2938364 0.74 TSHR (0.50) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL21909974 0.74 TSHR (0.50) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL9819625 0.74 ZDHHC20 (0.46) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1
SCHEMBL9225320 0.73 TSHR (0.48) TSHRZDHHC20ZDHHC2TAS1R3TAS1R1

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-107075149-B Method for producing water-absorbent polymer sheet 迪睿合株式会社 2020-06-26 CN disclosed