SCHEMBL7326188

SCHEMBL7326188

CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
SIRT1 Q96EB6 6/20 0.54
SIRT2 Q8IXJ6 5/20 0.54
SIRT3 Q9NTG7 3/20 0.54
TLR2 O60603 2/20 0.52
CYP3A4 P08684 1/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
ECE1 P42892 1/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48

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
SCHEMBL4182645 0.89 CPB1 (0.62) CPB1CPB2SIRT1SIRT2SIRT3
SCHEMBL7322118 0.89 SIRT2 (0.62) CPB1CPB2SIRT1SIRT2SIRT3
SCHEMBL7322113 0.89 SIRT2 (0.62) CPB1CPB2SIRT1SIRT2SIRT3
Hydrochloric Acid SCHEMBL7982992 0.88 SIRT2 (0.61) CPB1CPB2SIRT1SIRT2SIRT3
SCHEMBL7374094 0.86 CPB1 (0.55) CPB1CPB2SIRT1SIRT2SIRT3
SCHEMBL7317571 0.85 CTSL (0.60) CPB1CPB2SIRT1SIRT2SIRT3
Trifluoroacetic Acid SCHEMBL7316577 0.84 SIRT1 (0.57) CPB1CPB2SIRT1SIRT2SIRT3
Trifluoroacetic Acid SCHEMBL9324388 0.84 SIRT1 (0.57) CPB1CPB2SIRT1SIRT2SIRT3
SCHEMBL19630958 0.83 CTSK (0.50) CPB1CPB2SIRT1SIRT2SIRT3
SCHEMBL30705372 0.80 CPB1 (0.57) CPB1CPB2SIRT1SIRT2SIRT3

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
EP-0527764-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 EP disclosed
WO-1991015507-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO disclosed