SCHEMBL7876246

SCHEMBL7876246

COC(=O)N[C@@H](CCSC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
BCL2 P10415 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL7878136 1.00 CTSS (0.43) CTSSCTSKCA12CA9ALDH1A1
SCHEMBL9972470 0.87 CTSS (0.44) CTSSCTSKALDH1A1TSHRL3MBTL1
SCHEMBL3265338 0.87 CTSS (0.44) CTSSCTSKALDH1A1TSHRL3MBTL1
SCHEMBL5990092 0.87 CTSS (0.44) CTSSCTSKALDH1A1TSHRL3MBTL1
SCHEMBL7880337 0.85 METAP2 (0.46) CTSSCTSKCA12CA9ALDH1A1
SCHEMBL8430244 0.85 METAP2 (0.46) CTSSCTSKCA12CA9ALDH1A1
SCHEMBL7871939 0.85 METAP2 (0.46) CTSSCTSKCA12CA9ALDH1A1
SCHEMBL1983218 0.84 MAPK1 (0.54) CTSSCTSKALDH1A1MAPK1LMNA
SCHEMBL28501721 0.84 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1CYP2C9GAA
SCHEMBL1983219 0.84 MAPK1 (0.54) CTSSCTSKALDH1A1MAPK1LMNA

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
US-6333176-B1 ENZYMATIC CLEAVAGE OF C-TERMINAL AMINO GROUP FROM PEPTIDE AMIDE, DEAMINATION WITH PEPTIDE AMIDASE, INCUBATION AND INOCULATION DEGUSSA AKTIENGESELLSCHAFT (DE) 2001-12-25 US disclosed