SCHEMBL10826534

SCHEMBL10826534

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)C(CCCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 3/20 0.48
▸ MMP3 P08254 3/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MME P08473 4/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL10826321 0.97 MMP1 (0.49) MMP1MMP3MMEMMP2MMP7
SCHEMBL10826350 0.92 MME (0.49) MMEACECPA1ACE2
SCHEMBL10826528 0.89 MME (0.52) MMEACE
SCHEMBL7287864 0.85 MMP3 (0.44) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7287870 0.85 MMP3 (0.44) MMP1MMP3MMP9MMP2MMP7
SCHEMBL10826470 0.84 ACE (0.49) MMEACECPA1ACE2
SCHEMBL10521239 0.84 HRH4 (0.48) MMP1MMP3MMP9MMEMMP2
SCHEMBL10519808 0.83 CAPN1 (0.52) MMP1MMP3MMP9MMEMMP2
SCHEMBL9727512 0.82 MME (0.47) MMP9MMEMMP2MMP7
SCHEMBL7287009 0.82 MMP2 (0.44) MMP1MMP3MMP9MMP2MMP7

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
US-4609641-A HYPOTENSIVE, ANTIALDOSTERONE MERCK & CO., INC. (US) 1986-09-02 — — US disclosed
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