SCHEMBL20342227

SCHEMBL20342227

CN[C@@H](CCCI)CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
KISS1R Q969F8 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
SCHEMBL26864409 0.83 KISS1R (0.47) ALDH1A1TDP1ANPEPENPEPKISS1R
SCHEMBL24115244 0.82 PAOX (0.39) ALDH1A1TDP1ANPEPENPEPKISS1R
SCHEMBL26802540 0.82 KISS1R (0.42) ALDH1A1TDP1ANPEPENPEPKISS1R
SCHEMBL17207728 0.82 GPR84 (0.41)
SCHEMBL13347955 0.82 PAOX (0.39) ALDH1A1TDP1ANPEPENPEPKISS1R
SCHEMBL16327843 0.80 PAOX (0.42) ALDH1A1TDP1ANPEPENPEP
SCHEMBL24115238 0.80 PAOX (0.42) ALDH1A1TDP1ANPEPENPEP
SCHEMBL24154552 0.80 PAOX (0.42) ALDH1A1TDP1ANPEPENPEP
SCHEMBL26864406 0.79 ALDH1A1 (0.48) ALDH1A1TDP1ANPEPENPEP
SCHEMBL26864412 0.78 ANPEP (0.45) ALDH1A1TDP1ANPEPENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed