SCHEMBL6684576

SCHEMBL6684576

COC(=O)[C@H](CS)NCCN

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
CPB2 Q96IY4 5/20 0.34
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACE P12821 1/20 0.32
CPB1 P15086 1/20 0.31

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
SCHEMBL17385231 0.85 CPB2 (0.46) GGT1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL17377988 0.83 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL16382140 0.82 GGT1 (0.41) GGT1SMN1; SMN2THRBCPB2HSD17B10
SCHEMBL18814637 0.79 GGT1 (0.39) GGT1SMN1; SMN2KDM4ECPB2TSHR
SCHEMBL28373781 0.79 CA1 (0.43) MAPTALOX15HSD17B10
SCHEMBL30577820 0.78 ZDHHC7 (0.43)
Hydrochloric Acid SCHEMBL8609311 0.78 CA1 (0.42) MAPTALOX15HSD17B10
SCHEMBL619940 0.78 GGT1 (0.56) GGT1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL94249 0.78 GGT1 (0.56) GGT1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL307700 0.78 GGT1 (0.56) GGT1SMN1; SMN2KDM4EMAPTTHRB

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
WO-2004056970-A2 CHEMO-ENZYMATIC PROCESS FOR PROTEOME-WIDE MAPPING OF POST-TRANSLATIONAL MODIFICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-07-08 WO disclosed