SCHEMBL19630842

SCHEMBL19630842

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.54
▸ SIRT2 Q8IXJ6 9/20 0.53
▸ SIRT1 Q96EB6 7/20 0.53
▸ SIRT3 Q9NTG7 5/20 0.53
▸ CPB1 P15086 1/20 0.50
▸ CPB2 Q96IY4 1/20 0.50
▸ TLR2 O60603 2/20 0.47
▸ SIRT5 Q9NXA8 2/20 0.47
▸ ACE P12821 1/20 0.46
▸ ECE1 P42892 1/20 0.46

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
SCHEMBL29790888 0.89 CPB1 (0.61) CTSLSIRT2SIRT1SIRT3CPB1
SCHEMBL20827884 0.86 CTSL (0.59) CTSL
SCHEMBL5929274 0.85 CTSL (0.73) CTSLSIRT2
SCHEMBL31045787 0.85 SIRT2 (0.62) CTSLSIRT2SIRT1SIRT3CPB1
SCHEMBL20827885 0.84 CAPN1 (0.66) CTSL
SCHEMBL20827908 0.84 CAPN1 (0.66) CTSL
SCHEMBL11411256 0.84 CTSL (0.56) CTSLSIRT2SIRT1SIRT3CPB1
SCHEMBL27892488 0.82 SIRT2 (0.57) CTSLSIRT2SIRT1SIRT3SIRT5
SCHEMBL14509093 0.82 CTSL (0.68) CTSLSIRT2
SCHEMBL11173853 0.82 CPB1 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017201322-A1 TREATMENT OF OSTEOARTHRITIS WITH GINGIPAIN BLOCKING AGENTS Cortexyme, Inc. (US) 2017-11-23 — — WO disclosed
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