SCHEMBL10907806

SCHEMBL10907806

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.55
▸ CTSB P07858 10/20 0.55
▸ CTSD P07339 5/20 0.46
▸ REN P00797 1/20 0.46
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP4 P49662 1/20 0.45
▸ CASP5 P51878 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ CASP10 Q92851 1/20 0.45
▸ PSMB1 P20618 1/20 0.44

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
SCHEMBL10908030 0.90 CTSB (0.52) CTSKCTSBCTSDREN
SCHEMBL10431432 0.90 CTSB (0.52) CTSKCTSBRENCASP1CASP3
SCHEMBL11010919 0.83 CTSB (0.44) CTSKCTSBRENCASP1CASP3
SCHEMBL10431287 0.81 CTSB (0.51) CTSKCTSBRENCASP3
SCHEMBL10907851 0.76 CTSK (0.57) CTSKCTSBCTSDREN
SCHEMBL8972993 0.75 CTSK (0.70) CTSKCTSB
SCHEMBL8972996 0.75 CTSK (0.70) CTSKCTSB
SCHEMBL10908074 0.75 CTSK (0.56) CTSKCTSBCTSDREN
SCHEMBL10908721 0.74 CTSK (0.57) CTSKCTSBCTSDRENCASP3
SCHEMBL10908555 0.74 CTSK (0.59) CTSKCTSBCTSDREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback