SCHEMBL9832852

SCHEMBL9832852

COc1ccc(C[C@H](NC(=O)CCCCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 12/20 0.56
▸ MMP3 P08254 3/20 0.56
▸ MMP2 P08253 3/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ NPY4R P50391 4/20 0.55
▸ NPY5R Q15761 4/20 0.55
▸ NPY1R P25929 3/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ ADAM17 P78536 1/20 0.55
▸ MMP7 P09237 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ PTPN1 P18031 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
SCHEMBL9830801 0.93 NPY5R (0.54) MMP1MMP3MMP2MMP9NPY4R
SCHEMBL7442999 0.86 PSMB5 (0.60) MMP1MMP3MMP2NPY4RNPY5R
SCHEMBL5558798 0.82 MMP1 (0.74) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL17741125 0.81 PSMB5 (0.60) MMP1NPY4RNPY5RNPY1RNPY2R
SCHEMBL24276096 0.80 ITGB3 (0.59) PTPN1
SCHEMBL23974227 0.80 ITGB3 (0.59) PTPN1
SCHEMBL9830988 0.80 MMP1 (0.56) MMP1
SCHEMBL25627830 0.79 REN (0.57) MMP1MMP3MMP9NPY4RNPY5R
SCHEMBL25627640 0.79 REN (0.57) MMP1MMP3MMP9NPY4RNPY5R
SCHEMBL5558887 0.78 MMP2 (0.75) MMP1MMP3MMP2MMP9ADAM17

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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