SCHEMBL10521291

SCHEMBL10521291

COc1ccc(COC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H](CO)CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.50
▸ CTSL P07711 5/20 0.50
▸ CTSS P25774 4/20 0.50
▸ HDAC8 Q9BY41 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL10636524 0.88 CTSK (0.54) CTSKCTSLCTSSPTPN1PSMB1
SCHEMBL10477854 0.85 CTSK (0.50) CTSKCTSLCTSSHDAC8MMP1
SCHEMBL10978997 0.85 CTSK (0.50) CTSKCTSLPTPN1PSMB1PSMB5
SCHEMBL7385168 0.84 HDAC8 (0.47) CTSKCTSLCTSSHDAC8F2
SCHEMBL7382971 0.84 ATM (0.48) CTSKCTSLCTSSHDAC8F2
SCHEMBL9830940 0.83 ATM (0.53) CTSKCTSLCTSSHDAC8PTPN1
SCHEMBL9830929 0.83 ATM (0.53) CTSKCTSLCTSSHDAC8PTPN1
SCHEMBL10982494 0.82 CTSL (0.53) CTSKCTSLCTSB
SCHEMBL10976366 0.81 REN (0.58) CTSKCTSLMMP9PSMB1PSMB5
SCHEMBL10633366 0.81 REN (0.58) CTSKCTSLMMP9PSMB1PSMB5

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-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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