SCHEMBL9070335

SCHEMBL9070335

CCC(C)C(CN(CC(=O)NC(CCSC)C(=O)OC)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.63
▸ FNTB P49356 3/20 0.63
▸ KLK5 Q9Y337 3/20 0.47
▸ PSEN1 P49768 2/20 0.46
▸ PSEN2 P49810 2/20 0.46
▸ APH1B Q8WW43 2/20 0.46
▸ NCSTN Q92542 2/20 0.46
▸ APH1A Q96BI3 2/20 0.46
▸ PSENEN Q9NZ42 2/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ REN P00797 2/20 0.43
▸ BACE1 P56817 8/20 0.42
▸ CTSD P07339 2/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.41

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
SCHEMBL9070336 1.00 FNTA (0.63) FNTAFNTBKLK5PSEN1PSEN2
SCHEMBL9074183 0.94 FNTA (0.70) FNTAFNTBKLK5KLK7REN
SCHEMBL9074179 0.94 FNTA (0.70) FNTAFNTBKLK5KLK7REN
SCHEMBL8368594 0.88 FNTA (0.72) FNTAFNTBKLK5PSEN1PSEN2
SCHEMBL8333486 0.88 FNTA (0.72) FNTAFNTBKLK5PSEN1PSEN2
SCHEMBL8333489 0.88 FNTA (0.72) FNTAFNTBKLK5PSEN1PSEN2
SCHEMBL8865978 0.84 FNTA (0.52) FNTAFNTBCTSD
SCHEMBL8865973 0.84 FNTA (0.52) FNTAFNTBCTSD
SCHEMBL8331060 0.83 FNTA (0.91) FNTAFNTBPSEN1PSEN2APH1B
SCHEMBL6056530 0.82 FNTA (0.52) FNTAFNTB

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-5585359-A LACK OF THIOL MOIETY PREVENTS THIOL-DEPENDENT CHEMICAL REACTIONS AND REDUCES SYSTEMIC TOXICITY MERCK & CO., INC. (US) 1996-12-17 — — US disclosed
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