SCHEMBL7768295

SCHEMBL7768295

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
CA2 P00918 2/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35

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
SCHEMBL7768303 1.00 KDM4E (0.39) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL7882717 1.00 KDM4E (0.39) KDM4EALDH1A1L3MBTL1TSHRCA12
SCHEMBL17951700 0.87 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1RNPEPFPR1
SCHEMBL987829 0.83 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1RNPEPLMNA
SCHEMBL38595 0.83 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1RNPEPLMNA
SCHEMBL38594 0.83 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1RNPEPLMNA
SCHEMBL28781190 0.83 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1RNPEPLMNA
SCHEMBL16411037 0.82 FPR1 (0.53) TSHRFPR1FPR2FNTAFNTB
SCHEMBL16149859 0.81 ALDH1A1 (0.52) KDM4EALDH1A1L3MBTL1RNPEPLMNA
Fluoride SCHEMBL29174742 0.81 ALDH1A1 (0.52) KDM4EALDH1A1L3MBTL1RNPEPLMNA

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
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
EP-0759066-B1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA (DE) 2001-06-27 EP disclosed
EP-0759066-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF Degussa Aktiengesellschaft (DE) 1997-02-26 EP disclosed
WO-1995030740-A1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1995-11-16 WO disclosed