SCHEMBL10908701

SCHEMBL10908701

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)Cc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 8/20 0.57
▸ CTSK P43235 8/20 0.57
▸ REN P00797 5/20 0.53
▸ CASP1 P29466 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49
▸ NMBR P28336 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ MMP8 P22894 2/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP7 P09237 1/20 0.47

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
SCHEMBL10907849 0.90 CTSB (0.62) CTSBCTSKRENCASP1CASP3
SCHEMBL10907853 0.88 CTSB (0.54) CTSBCTSKRENCASP3CASP7
SCHEMBL10909457 0.83 REN (0.54) CTSBCTSKRENCASP1
SCHEMBL10909792 0.83 CTSB (0.55) CTSBCTSKRENCASP3CASP7
SCHEMBL10908290 0.83 CTSK (0.52) CTSBCTSKREN
SCHEMBL10908060 0.81 CTSK (0.51) CTSBCTSKRENCASP1CASP3
SCHEMBL10909548 0.81 CTSB (0.53) CTSBCTSKREN
SCHEMBL10909559 0.81 CTSK (0.51) CTSBCTSKRENCASP1CASP3
SCHEMBL10907982 0.81 CASP3 (0.51) CTSBCTSKRENCASP3CASP7
SCHEMBL10557805 0.80 MAPT (0.57) CTSBCTSKCASP1CASP3CASP7

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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