SCHEMBL9830801

SCHEMBL9830801

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 4/20 0.54
▸ NPY4R P50391 4/20 0.54
▸ NPY1R P25929 3/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ MMP1 P03956 13/20 0.54
▸ MMP3 P08254 3/20 0.54
▸ MMP9 P14780 2/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ MMP2 P08253 3/20 0.51
▸ MMP7 P09237 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP13 P45452 1/20 0.51

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
SCHEMBL9832852 0.93 MMP1 (0.56) NPY5RNPY4RNPY1RNPY2RMMP1
SCHEMBL9830988 0.85 MMP1 (0.56) MMP1
SCHEMBL24276096 0.79 ITGB3 (0.59) —
SCHEMBL23974227 0.79 ITGB3 (0.59) —
SCHEMBL7442999 0.78 PSMB5 (0.60) NPY5RNPY4RNPY1RNPY2RMMP1
SCHEMBL17741125 0.78 PSMB5 (0.60) NPY5RNPY4RNPY1RNPY2RMMP1
SCHEMBL5558887 0.77 MMP2 (0.75) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7359195 0.77 ECE1 (0.44) NPY5RNPY4RNPY1RNPY2RMMP1
SCHEMBL28221966 0.77 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221962 0.77 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2

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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