SCHEMBL9830988

SCHEMBL9830988

COC(=O)CCCCC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.56
▸ CTSK P43235 2/20 0.55
▸ CTSL P07711 1/20 0.55
▸ CTSS P25774 1/20 0.55
▸ REN P00797 4/20 0.52
▸ PSMB5 P28074 4/20 0.51
▸ CTSB P07858 1/20 0.49
▸ CAPN1 P07384 1/20 0.49

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
SCHEMBL9832022 0.90 POLB (0.56) CAPN1
SCHEMBL7357746 0.87 CAPN1 (0.53) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL10593105 0.87 CAPN1 (0.53) CTSKCTSLCTSSCTSBCAPN1
SCHEMBL9830801 0.85 NPY5R (0.54) MMP1
SCHEMBL28602197 0.82 CTSK (0.72) MMP1CTSKCTSLCTSSCTSB
SCHEMBL15251947 0.81 ALDH1A1 (0.58) MMP1CTSKCTSLCTSSPSMB5
SCHEMBL9832852 0.80 MMP1 (0.56) MMP1
SCHEMBL19708144 0.79 CAPN1 (0.56) CTSKCTSLRENPSMB5CAPN1
SCHEMBL19707918 0.79 CAPN1 (0.56) CTSKCTSLRENPSMB5CAPN1
SCHEMBL9517376 0.79 PSMB5 (0.69) MMP1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS — 1991-01-02 — — EP disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 — — EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 — — WO disclosed
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