SCHEMBL10908290

SCHEMBL10908290

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(=O)CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.52
▸ CTSB P07858 8/20 0.52
▸ PSMB5 P28074 5/20 0.47
▸ REN P00797 4/20 0.47
▸ CTSL P07711 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP3A5 P20815 2/20 0.44
▸ CYP3A7 P24462 2/20 0.44
▸ CYP3A43 Q9HB55 2/20 0.44
▸ CTSD P07339 1/20 0.44
▸ PSMB11 A5LHX3 1/20 0.44
▸ PSMD11 O00231 1/20 0.44
▸ PSMD12 O00232 1/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ PSMA7 O14818 1/20 0.44
▸ PSMD3 O43242 1/20 0.44
▸ PSMC3 P17980 1/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ PSMA1 P25786 1/20 0.44
▸ PSMA2 P25787 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
SCHEMBL10908049 0.90 CTSK (0.49) CTSKCTSBPSMB5RENCTSL
SCHEMBL10908074 0.89 CTSK (0.56) CTSKCTSBPSMB5RENCTSL
SCHEMBL10907853 0.85 CTSB (0.54) CTSKCTSBRENCTSD
SCHEMBL10909792 0.83 CTSB (0.55) CTSKCTSBRENCTSD
SCHEMBL10908701 0.83 CTSB (0.57) CTSKCTSBREN
SCHEMBL10555284 0.81 CTSB (0.49) CTSKCTSBRENCTSD
SCHEMBL10908060 0.81 CTSK (0.51) CTSKCTSBRENCTSL
SCHEMBL10909548 0.81 CTSB (0.53) CTSKCTSBRENCTSD
SCHEMBL11011701 0.81 ITGB3 (0.45) CTSKCTSBCTSL
SCHEMBL10905777 0.81 CTSK (0.49) CTSKCTSBRENCTSL

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-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
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