SCHEMBL7320016

SCHEMBL7320016

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCO

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.67
SIRT1 Q96EB6 5/20 0.67
SIRT3 Q9NTG7 4/20 0.67
CPB1 P15086 1/20 0.63
CPB2 Q96IY4 1/20 0.63
TLR2 O60603 2/20 0.59
CTSL P07711 1/20 0.58
CTSS P25774 1/20 0.58
SIRT5 Q9NXA8 1/20 0.55
CTSK P43235 1/20 0.54
ECE1 P42892 1/20 0.53
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53

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
SCHEMBL7322295 1.00 SIRT2 (0.67) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL7324738 0.89 SIRT2 (0.67) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL9516479 0.87 SIRT2 (0.62) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL28291230 0.87 SIRT2 (0.86) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL19851643 0.87 SIRT2 (0.86) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL30891387 0.86 SIRT2 (0.75) SIRT2SIRT1SIRT3CPB1CPB2
Monoethanolamine SCHEMBL9496843 0.86 ITGB3 (0.62) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL7388911 0.85 SIRT2 (0.68) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL7322118 0.85 SIRT2 (0.62) SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL7322113 0.85 SIRT2 (0.62) SIRT2SIRT1SIRT3CPB1CPB2

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
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-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