SCHEMBL7322113

SCHEMBL7322113

CNC(=O)C(CCCCN)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.62
SIRT1 Q96EB6 7/20 0.62
SIRT3 Q9NTG7 5/20 0.62
TLR2 O60603 2/20 0.60
CTSL P07711 1/20 0.58
CTSS P25774 1/20 0.58
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
TPSAB1 Q15661 2/20 0.56
ECE1 P42892 1/20 0.56
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
SIRT5 Q9NXA8 1/20 0.55

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
SCHEMBL7322118 1.00 SIRT2 (0.62) SIRT2SIRT1SIRT3TLR2CTSL
Hydrochloric Acid SCHEMBL7982992 0.99 SIRT2 (0.61) SIRT2SIRT1SIRT3TLR2CTSL
SCHEMBL7317571 0.96 CTSL (0.60) SIRT2SIRT1SIRT3TLR2CTSL
Trifluoroacetic Acid SCHEMBL7316577 0.94 SIRT1 (0.57) SIRT2SIRT1SIRT3TLR2CTSL
Trifluoroacetic Acid SCHEMBL9324388 0.94 SIRT1 (0.57) SIRT2SIRT1SIRT3TLR2CTSL
SCHEMBL17742350 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3ECE1SIRT5
SCHEMBL13449697 0.89 CTSL (0.69) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7326188 0.89 CPB1 (0.58) SIRT2SIRT1SIRT3TLR2CTSL
SCHEMBL1840311 0.88 SIRT2 (0.61) SIRT2SIRT1SIRT3TLR2CTSL
SCHEMBL1840309 0.88 SIRT2 (0.61) SIRT2SIRT1SIRT3TLR2CTSL

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 5 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 claimed
WO-1991015507-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 WO claimed
EP-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed
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