SCHEMBL29959455

SCHEMBL29959455

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ TPSAB1 Q15661 2/20 0.47
▸ SIRT2 Q8IXJ6 6/20 0.47
▸ SIRT1 Q96EB6 5/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ SIRT3 Q9NTG7 3/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ CAPN2 P17655 1/20 0.45
▸ PTGER4 P35408 1/20 0.45

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
SCHEMBL14629790 0.96 CTSL (0.44) CTSLCTSSTPSAB1SIRT2SIRT1
SCHEMBL9135873 0.91 HTT (0.46) CTSL
SCHEMBL9135888 0.91 HTT (0.46) CTSL
SCHEMBL18440712 0.89 CPB1 (0.52) CTSLCTSSTPSAB1SIRT2SIRT1
SCHEMBL7266455 0.87 CTSK (0.53) CTSLSIRT2
SCHEMBL5980007 0.87 CTSK (0.53) CTSLSIRT2
SCHEMBL7264476 0.87 CTSK (0.53) CTSLSIRT2
SCHEMBL16455694 0.87 CTSL (0.54) CTSLCTSSTPSAB1SIRT2SIRT1
SCHEMBL8595159 0.84 CTSL (0.54) CTSLCTSSSIRT2SIRT1PTGER4
SCHEMBL10792006 0.84 CTSL (0.54) CTSLCTSSSIRT2SIRT1PTGER4

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
CN-103429256-B Targeting of coagulation factors to TLT-1 on activated platelets 诺和诺德保健股份有限公司 2022-09-13 — — CN disclosed
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