SCHEMBL11011753

SCHEMBL11011753

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.47
▸ CTSB P07858 4/20 0.45
▸ CTSK P43235 3/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ MME P08473 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ CTSL P07711 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CASP1 P29466 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ CASP10 Q92851 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL10909548 0.94 CTSB (0.53) RENCTSBCTSK
SCHEMBL11006634 0.85 REN (0.49) RENCTSBCTSKMMEECE1
SCHEMBL11013588 0.83 TACR1 (0.61) CTSBCTSKTACR1CTSLCTSS
SCHEMBL10431182 0.83 CTSL (0.59) CTSBCTSKTACR1MMEECE1
SCHEMBL10907851 0.81 CTSK (0.57) RENCTSBCTSK
SCHEMBL10909792 0.80 CTSB (0.55) RENCTSBCTSKCASP3CASP7
SCHEMBL10905628 0.80 CTSK (0.47) RENCTSBCTSKCTSLCTSS
SCHEMBL11014917 0.79 CTSL (0.46) CTSBCTSKTACR1CTSLCTSS
SCHEMBL11010919 0.79 CTSB (0.44) RENCTSBCTSKMMEECE1
SCHEMBL11011996 0.78 REN (0.57) RENCTSBCTSK

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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