SCHEMBL7351457

SCHEMBL7351457

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCSc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SDCBP O00560 3/20 0.41
▸ SDC2 P34741 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PSMB5 P28074 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 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
SCHEMBL6381992 0.83 SLC15A2 (0.44) MMEALDH1A1MMP2MMP7MMP9
SCHEMBL9830052 0.81 PSMB5 (0.49) MMEPSMB5
SCHEMBL9830035 0.81 PSMB5 (0.49) MMEPSMB5
SCHEMBL1275443 0.80 OPRM1 (0.46) MMEPSMB5
SCHEMBL1674833 0.80 OPRM1 (0.46) MMEPSMB5
SCHEMBL17925467 0.80 OPRM1 (0.46) MMEPSMB5
Water SCHEMBL1433018 0.80 OPRM1 (0.46) MME
Water SCHEMBL1433025 0.80 OPRM1 (0.46) MME
Water SCHEMBL28629638 0.80 OPRM1 (0.46) MME
SCHEMBL11012831 0.80 MME (0.49) MMEPSMB5MMP2MMP7MMP9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894437-A Novel renin inhibiting polypeptide analogs containing S-aryl-D- or L- or DL-cysteinyl, 3-(arylthio)lactic acid or 3-(arylthio)alkyl moieties THE UPJOHN COMPANY (US) 1990-01-16 — — US claimed
EP-0245361-A1 NOVEL RENIN INHIBITING POLYPEPTIDE ANALOGS CONTAINING S-ARYL-D- OR L- OR DL-CYSTEINYL, 3-(ARYLTHIO)LACTIC ACID OR 3-(ARYLTHIO)ALKYL MOIETIES THE UPJOHN COMPANY (US) 1987-11-19 — — EP claimed
WO-1987002986-A1 NOVEL RENIN INHIBITING POLYPEPTIDE ANALOGS CONTAINING S-ARYL-D- OR L- OR DL-CYSTEINYL, 3-(ARYLTHIO)LACTIC ACID OR 3-(ARYLTHIO)ALKYL MOIETIES THE UPJOHN COMPANY (US) 1987-05-21 — — WO claimed
US-4894437-A Novel renin inhibiting polypeptide analogs containing S-aryl-D- or L- or DL-cysteinyl, 3-(arylthio)lactic acid or 3-(arylthio)alkyl moieties THE UPJOHN COMPANY (US) 1990-01-16 — — US disclosed
EP-0245361-A1 NOVEL RENIN INHIBITING POLYPEPTIDE ANALOGS CONTAINING S-ARYL-D- OR L- OR DL-CYSTEINYL, 3-(ARYLTHIO)LACTIC ACID OR 3-(ARYLTHIO)ALKYL MOIETIES THE UPJOHN COMPANY (US) 1987-11-19 — — EP disclosed
WO-1987002986-A1 NOVEL RENIN INHIBITING POLYPEPTIDE ANALOGS CONTAINING S-ARYL-D- OR L- OR DL-CYSTEINYL, 3-(ARYLTHIO)LACTIC ACID OR 3-(ARYLTHIO)ALKYL MOIETIES THE UPJOHN COMPANY (US) 1987-05-21 — — WO disclosed
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