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SCHEMBL8522396

SCHEMBL8522396

COc1ccccc1OC(=O)C(Cc1cccc2ccccc12)NC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.76
▸ ACE P12821 9/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ TACR1 P25103 2/20 0.40
▸ MMP9 P14780 2/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL8027175 1.00 MME (0.76) MMEACEL3MBTL1CPA1ACE2
SCHEMBL27443651 0.95 MME (0.68) MMEACEL3MBTL1CPA1ACE2
SCHEMBL8032591 0.95 MME (0.75) MMEACEL3MBTL1CPA1ACE2
SCHEMBL27440148 0.92 MME (0.63) MMEACEL3MBTL1TACR1PTGES
SCHEMBL8017267 0.87 MME (1.00) MMEACECPA1ACE2MMP9
SCHEMBL8027260 0.87 MME (0.59) MMEACE
SCHEMBL8522752 0.87 MME (0.59) MMEACE
SCHEMBL8451438 0.86 MME (0.83) MMEACECPA1ACE2TACR1
SCHEMBL8027294 0.86 MME (0.83) MMEACECPA1ACE2TACR1
SCHEMBL8028033 0.86 MME (0.64) MMEACE

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed