SCHEMBL7266079

SCHEMBL7266079

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1C)CS(=O)(=O)CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ CA2 P00918 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ MMP2 P08253 9/20 0.41
▸ MMP1 P03956 4/20 0.41
▸ MMP3 P08254 4/20 0.41

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
SCHEMBL7280278 1.00 MME (0.47) MMEECE1ACECPA1ACE2
SCHEMBL7267914 0.87 HRH4 (0.53) MMEECE1ACECPA1ACE2
SCHEMBL7278135 0.87 HRH4 (0.53) MMEECE1ACECPA1ACE2
SCHEMBL7272533 0.83 MMP2 (0.42) MMEECE1ACECPA1ACE2
SCHEMBL7268334 0.81 MMP2 (0.46) MMEECE1ACECPA1ACE2
SCHEMBL7267538 0.81 MME (0.50) MMEECE1ACECPA1ACE2
SCHEMBL9083662 0.80 HRH4 (0.50) MMEECE1ACECPA1ACE2
SCHEMBL6443858 0.77 MME (0.55) MMEECE1ACECPA1ACE2
SCHEMBL6443866 0.77 MME (0.55) MMEECE1ACECPA1ACE2
SCHEMBL7269748 0.77 MME (0.46) MMEECE1ACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309766-B1 N-acylamino acid derivatives and their use BANYU PHARMA CO LTD (JP) 1998-04-15 — — EP disclosed
US-5506356-A RENIN INHIBITORS; HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 — — US disclosed
US-5481036-A RENIN INHIBITORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 — — US disclosed
US-5319082-A N-acylamino acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 — — US disclosed
US-5240924-A Dipeptide hypotensives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 — — US disclosed
US-5122523-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-06-16 — — US disclosed
EP-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
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