SCHEMBL20353370

SCHEMBL20353370

CNC(CCC(C)=O)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.43
ANPEP P15144 4/20 0.42
ENPEP Q07075 1/20 0.42
PLA2G10 O15496 2/20 0.39
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
RNPEP Q9H4A4 2/20 0.34
DNPEP Q9ULA0 2/20 0.34
FOLH1 Q04609 2/20 0.33
CA1 P00915 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL22994945 0.84 ANPEP (0.56) ANPEPENPEPALDH1A1TDP1
SCHEMBL20342119 0.78 ALDH1A1 (0.50) KISS1RANPEPENPEPALDH1A1TDP1
SCHEMBL26864412 0.78 ANPEP (0.45) ANPEPENPEPALDH1A1TDP1
SCHEMBL25641484 0.78 ALDH1A1 (0.50) KISS1RANPEPENPEPALDH1A1TDP1
SCHEMBL24390485 0.78 ANPEP (0.45) ANPEPENPEPALDH1A1TDP1
SCHEMBL21991002 0.78 ANPEP (0.45) ANPEPENPEPALDH1A1TDP1
SCHEMBL17992778 0.78 ALDH1A1 (0.50) KISS1RANPEPENPEPALDH1A1TDP1
SCHEMBL16768817 0.77 ANPEP (0.70) ANPEPENPEPALDH1A1FOLH1
SCHEMBL25943327 0.77 ANPEP (0.70) ANPEPENPEPALDH1A1FOLH1
SCHEMBL25943328 0.75 ANPEP (0.52) ANPEPENPEPALDH1A1TDP1FOLH1

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 4 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
WO-2019201432-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 WO disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 WO disclosed