SCHEMBL9513765

SCHEMBL9513765

CNC(=O)[C@H](CS)NNC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BMP1 P13497 2/20 0.38
ACE P12821 1/20 0.36
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP1 P03956 2/20 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
SCHEMBL7279508 0.79 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7279513 0.79 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12632549 0.79 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10045860 0.79 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13299209 0.79 KDM4E (0.63) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10084643 0.76
SCHEMBL11111449 0.76
SCHEMBL13163781 0.76
SCHEMBL13560714 0.72
SCHEMBL4990551 0.72 BMP1 (0.45) KDM4EMAPTTHRBALOX15NFKB1

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
EP-0278787-B1 A process for enzymatic production of dipeptides CARLBIOTECH LTD AS (DK) 1993-10-20 EP disclosed