SCHEMBL10067246

SCHEMBL10067246

CCCCOC(=O)C(CCCN)NC(=O)C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ SIRT2 Q8IXJ6 6/20 0.52
▸ SIRT1 Q96EB6 5/20 0.52
▸ SIRT3 Q9NTG7 5/20 0.52
▸ ECE1 P42892 2/20 0.49
▸ MME P08473 1/20 0.49
▸ CTSK P43235 2/20 0.49
▸ ITGB3 P05106 4/20 0.48
▸ ITGA2B P08514 4/20 0.48
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.47

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
SCHEMBL10035700 0.92 CTSK (0.55) CTSLCTSSTLR2SIRT2SIRT1
SCHEMBL10035721 0.92 CTSK (0.55) CTSLCTSSTLR2SIRT2SIRT1
SCHEMBL17382634 0.88 TLR2 (0.62) CTSLCTSSTLR2SIRT2SIRT1
SCHEMBL29674796 0.87 ECE1 (0.59) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL8230136 0.85 CTSL (0.51) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL8230194 0.84 TGM2 (0.58) CTSLCTSS
SCHEMBL8233297 0.84 SYK (0.52) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL29576990 0.84 ECE1 (0.63) TLR2SIRT2SIRT1SIRT3ECE1
SCHEMBL10920444 0.84 TLR2 (0.59) CTSLCTSSTLR2SIRT2SIRT1
SCHEMBL25879987 0.82 ALDH1A1 (0.57) CTSLCTSSCTSK

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
US-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 — — US disclosed
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