SCHEMBL11112082

SCHEMBL11112082

CSCC[C@H](NC(=O)CCS)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.48
FNTB P49356 7/20 0.48
PGGT1B P53609 3/20 0.48
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.37
NOD1 Q9Y239 1/20 0.37
RNPEP Q9H4A4 1/20 0.37

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
SCHEMBL15186080 0.85 FNTA (0.43) FNTAFNTBPGGT1BCA12CA9
SCHEMBL11113309 0.85 FNTA (0.59) FNTAFNTBPGGT1BRNPEP
SCHEMBL22100185 0.84 NOD1 (0.43) FNTAFNTBPGGT1BCA12CA9
SCHEMBL929619 0.83 NOD1 (0.39) CA9NOD1
SCHEMBL5200064 0.80 NOD1 (0.52) FNTAFNTBPGGT1BCA12CA9
SCHEMBL11111024 0.80 KMT2A (0.52) FNTAFNTBPGGT1BCYP2C9NOD1
SCHEMBL5200067 0.80 NOD1 (0.52) FNTAFNTBPGGT1BCA12CA9
SCHEMBL21587882 0.80 NOD1 (0.52) FNTAFNTBPGGT1BCA12CA9
SCHEMBL929302 0.80 NOD1 (0.43) NOD1
SCHEMBL538339 0.79 TSHR (0.54) CA12CA9TSHRRNPEP

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
US-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US claimed
US-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US disclosed