SCHEMBL10431432

SCHEMBL10431432

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(=O)N1CC(CC(N)=O)=CS1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 6/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CASP3 P42574 3/20 0.45
▸ CTSK P43235 6/20 0.44
▸ CASP1 P29466 1/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ CASP10 Q92851 1/20 0.42

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
SCHEMBL10431287 0.91 CTSB (0.51) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL10907806 0.90 CTSK (0.55) CTSBCASP3CTSKCASP1CASP4
SCHEMBL11010919 0.85 CTSB (0.44) CTSBCTSLCTSSCASP3CTSK
SCHEMBL10908030 0.80 CTSB (0.52) CTSBCTSKREN
SCHEMBL10448131 0.73 CTSL (0.68) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8664353 0.73 CTSL (0.68) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL1783371 0.73 CTSL (0.68) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL13888698 0.72 MEN1 (0.74) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8658774 0.72 MEN1 (0.74) CTSBCTSLCTSSMEN1KMT2A
SCHEMBL8662503 0.72 CTSB (0.70) CTSBCTSLCTSSMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400290-A1 5-Amino-4-hydroxyvalerianic acid derivatives useful as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1990-12-05 — — EP disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 — — US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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