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SCHEMBL7277678

SCHEMBL7277678

O=C(NC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC1CCCCC1)P(=O)(O)CC(CC1CCCCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.48
▸ ECE1 P42892 12/20 0.48
▸ ACE P12821 6/20 0.46
▸ MMP13 P45452 2/20 0.44
▸ MMP2 P08253 5/20 0.44
▸ MMP9 P14780 5/20 0.44
▸ MMP8 P22894 5/20 0.44
▸ MMP14 P50281 5/20 0.44
▸ MMP11 P24347 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ MMP7 P09237 2/20 0.43

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
SCHEMBL7283203 0.92 CTSL (0.43) MMEECE1ACEMMP13MMP2
SCHEMBL7286158 0.92 MMP2 (0.48) MMEECE1ACEMMP2MMP9
SCHEMBL10718613 0.92 CTSL (0.45) MMEECE1ACEMMP2MMP9
SCHEMBL7274969 0.90 CTSL (0.45) MMEECE1ACECTSL
SCHEMBL10718460 0.89 REN (0.47) MMEECE1MMP2MMP9MMP8
SCHEMBL7274934 0.89 REN (0.45) MMEECE1ACEMMP2MMP9
SCHEMBL10718705 0.88 REN (0.46) MMEECE1MMP2MMP9MMP8
SCHEMBL7283367 0.86 ACE2 (0.51) MMEECE1ACEMMP2MMP9
SCHEMBL7284698 0.86 ACE2 (0.51) MMEECE1ACEMMP2MMP9
SCHEMBL7308401 0.86 ECE1 (0.53) MMEECE1ACEMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
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