SCHEMBL9320757

SCHEMBL9320757

C=CC(=O)NCC(C)CC[N+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
ACHE P22303 1/20 0.31
TGM2 P21980 1/20 0.30
GAA P10253 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
Hydrochloric Acid SCHEMBL9320745 0.98 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755013 0.81 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL24652900 0.80 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17183770 0.80 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10751530 0.80 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29531590 0.80 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL29980212 0.78 ZDHHC20 (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL21143015 0.77 TSHR (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7175257 0.76 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL799424 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430963-B1 HYDROLYSIS RESISTANT VINYL LACTAM AMINO ACRYLAMIDE POLYMERS ISP INVESTMENTS INC (US) 1994-01-12 EP claimed