SCHEMBL7871939

SCHEMBL7871939

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
PPID Q08752 1/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CYP2C9 P11712 1/20 0.37
CAD P27708 1/20 0.37
CA1 P00915 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
SCHEMBL7880337 1.00 METAP2 (0.46) METAP2METAP1PPIDCA12CA9
SCHEMBL8430244 1.00 METAP2 (0.46) METAP2METAP1PPIDCA12CA9
SCHEMBL4957200 0.85 ALDH1A1 (0.49) METAP2METAP1CTSSCTSKALDH1A1
SCHEMBL4957204 0.85 ALDH1A1 (0.49) METAP2METAP1CTSSCTSKALDH1A1
SCHEMBL7876246 0.85 CTSS (0.43) CA12CA9L3MBTL1CTSSCTSK
SCHEMBL7878136 0.85 CTSS (0.43) CA12CA9L3MBTL1CTSSCTSK
Water SCHEMBL27588204 0.84 ALDH1A1 (0.48) METAP2METAP1CTSSCTSKALDH1A1
Hydrochloric Acid SCHEMBL27865037 0.84 ALDH1A1 (0.48) METAP2METAP1CTSSCTSKALDH1A1
SCHEMBL14771644 0.83 METAP2 (0.45) METAP2METAP1PPIDL3MBTL1CTSS
SCHEMBL6623780 0.79 CTSK (0.63) CTSSCTSKALDH1A1TSHRCYP2C9

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-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
US-5985632-A Peptide amidase from xanthomonas DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed