SCHEMBL11035604

SCHEMBL11035604

CCOC(=O)N1CC[CH]CC1C(=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](C)CC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.42
▸ CTSB P07858 5/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSL P07711 3/20 0.40
▸ CTSS P25774 1/20 0.38
▸ MME P08473 1/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ ACE P12821 1/20 0.38

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
SCHEMBL10555284 0.95 CTSB (0.49) RENCTSBCTSK
SCHEMBL11006634 0.79 REN (0.49) RENCTSBCTSKCTSLCTSS
SCHEMBL11011753 0.76 REN (0.47) RENCTSBCTSKCTSLCTSS
SCHEMBL11010919 0.75 CTSB (0.44) RENCTSBCTSKCTSLCTSS
SCHEMBL10908290 0.75 CTSK (0.52) RENCTSBCTSKCTSL
SCHEMBL7030418 0.74 CTSL (0.50) CTSBCTSKCTSLCTSSMME
SCHEMBL10909792 0.74 CTSB (0.55) RENCTSBCTSK
SCHEMBL9551368 0.73 CTSL (0.54) CTSBCTSKCTSLCTSS
SCHEMBL9551274 0.73 CTSL (0.54) CTSBCTSKCTSLCTSS
SCHEMBL9666956 0.73 CTSL (0.54) CTSBCTSKCTSLCTSS

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
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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