SCHEMBL8971441

SCHEMBL8971441

CCCC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.40
▸ MME P08473 14/20 0.39
▸ CPA1 P15085 8/20 0.39
▸ ACE2 Q9BYF1 8/20 0.39
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL8957141 0.94 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL8957107 0.93 ACE (0.39) ACEMMECPA1ACE2
SCHEMBL8957264 0.83 ACE (0.37) ACEMMECPA1ACE2
SCHEMBL8957278 0.82 ACE (0.40) ACEMMECPA1ACE2
SCHEMBL8971512 0.81 ACE (0.37) ACEMMECPA1ACE2
SCHEMBL8957110 0.81 MME (0.35) ACEMMECPA1ACE2
SCHEMBL8957204 0.79 ACE (0.42) ACEMMECPA1ACE2
SCHEMBL8957132 0.78 HCAR3 (0.38) MME
SCHEMBL7049829 0.76 MME (0.41) ACEMMECPA1ACE2
SCHEMBL8957142 0.76 MME (0.36) ACEMMECPA1ACE2

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-5565480-A ANGIOTENSIN II RECEPTOR ANTAGONIST; USEFUL IN REGULATING HYPERTENSION, TREATMENT OF CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLUCOMA SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 — — US disclosed
US-5444081-A Treatment of hypertension, congestive heart failure, renal failure, glaucoma SMITHKLINE BEECHAM CORP (US) 1995-08-22 — — US disclosed
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