SCHEMBL10749706

SCHEMBL10749706

CCNC(=O)CC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.49
▸ ACE P12821 1/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ REN P00797 6/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7288450 0.91 EPHX1 (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL9013764 0.89 CYP1A2 (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL10519718 0.88 HRH4 (0.52) CPA1CTNNB1HRH4TDP1
SCHEMBL7291238 0.88 HRH4 (0.52) CPA1CTNNB1HRH4TDP1
SCHEMBL7291021 0.86 KMT2A (0.57) CTNNB1HRH4
SCHEMBL10520925 0.86 KMT2A (0.57) CTNNB1HRH4
SCHEMBL8006913 0.84 MME (0.47) MMEACECPA1ACE2CTNNB1
SCHEMBL10520573 0.84 MEN1 (0.53) CTNNB1HRH4MMP2MMP9MMP8
SCHEMBL10338654 0.83 CPA1 (0.57) MMEACECPA1ACE2CTNNB1
SCHEMBL9194477 0.83 CPA1 (0.57) MMEACECPA1ACE2CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4656269-A RENIN INHIBITORY EFFECT WHEN ADMINISTERING ORALLY; HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-04-07 — — US disclosed
EP-0200406-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-11-05 — — EP disclosed
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