SCHEMBL24115242

SCHEMBL24115242

CN[C@@H](CCn1oc(=O)[nH]c1=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.52
GRM2 Q14416 1/20 0.52
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.41
GRM1 Q13255 1/20 0.41
GRM3 Q14832 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
PLAT P00750 1/20 0.34
NR1H4 Q96RI1 2/20 0.33

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
SCHEMBL24115254 0.80 GRM5 (0.55) GRM5GRM2KDM4EMEN1ALDH1A1
SCHEMBL24115280 0.71 GRM5 (0.53) GRM5GRM2KDM4EMEN1ALDH1A1
SCHEMBL26864406 0.65 ALDH1A1 (0.48) ALDH1A1TDP1HTT
SCHEMBL26864412 0.64 ANPEP (0.45) ALDH1A1TDP1
SCHEMBL13973820 0.63 ANPEP (0.44) ALDH1A1TDP1
SCHEMBL26864409 0.61 KISS1R (0.47) ALDH1A1TDP1
SCHEMBL20342062 0.61 ANPEP (0.62) GRM5GRM2KDM4EALDH1A1CYP1A2
SCHEMBL20342227 0.61 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL24115234 0.61 PKM (0.50) ALDH1A1
SCHEMBL20342061 0.60 ANPEP (0.41) ALDH1A1BLMKMT2ATDP1

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-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 EP disclosed