SCHEMBL5495000

SCHEMBL5495000

CC(NC(=N)N)SCC(CS)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.35
CPN1 P15169 1/20 0.34
ACE P12821 3/20 0.33
FOLH1 Q04609 1/20 0.33
MME P08473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPEP Q07075 2/20 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
SCHEMBL17029988 0.80 GABRR1 (0.35) FOLH1ENPEP
SCHEMBL5415497 0.76 CPB2 (0.44) CPB2CPN1ACEFOLH1MME
SCHEMBL17030026 0.73 CYP2C19 (0.42)
SCHEMBL17029982 0.72 NOS3 (0.30)
SCHEMBL17029980 0.70 CYP1A2 (0.37) FOLH1
SCHEMBL17029967 0.69
SCHEMBL2231293 0.69 CPB2 (0.35) CPB2CPN1FOLH1
SCHEMBL17030086 0.68 TSHR (0.39) THRBBLM
SCHEMBL17029987 0.67
SCHEMBL17030203 0.67 MTNR1A (0.33)

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-9512172-B2 Ethanol dependence of alpha1 antitrypsin C-terminal Lys truncation by basic carboxypeptidases BAXALTA INCORPORATED (IL) 2016-12-06 US disclosed
US-20140309176-A1 ETHANOL DEPENDENCE OF ALPHA1 ANTITRYPSIN C-TERMINAL LYS TRUNCATION BY BASIC CARBOXYPEPTIDASES BAXALTA INCORPORATED 2014-10-16 US disclosed
US-8772240-B2 Ethanol dependence of alpha1 antitrypsin C-terminal lys truncation by basic carboxypeptidases BAXTER INTERNATIONAL INC. (US) 2014-07-08 US disclosed
US-20070274976-A1 ETHANOL DEPENDENCE OF ALPHA1 ANTITRYPSIN C-TERMINAL LYS TRUNCATION BY BASIC CARBOXYPEPTIDASES BAXALTA INCORPORATED 2007-11-29 US disclosed