SCHEMBL7266488

SCHEMBL7266488

CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2cccnc12)CS(=O)(=O)C(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 3/20 0.55
▸ MMP2 P08253 2/20 0.55
▸ MMP9 P14780 2/20 0.55
▸ NTSR1 P30989 2/20 0.45
▸ MME P08473 2/20 0.43
▸ MMP1 P03956 4/20 0.40
▸ ADAM17 P78536 3/20 0.40
▸ REN P00797 1/20 0.40
▸ HTR5A P47898 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
SCHEMBL7266481 1.00 MMP8 (0.55) MMP8MMP2MMP9NTSR1MME
SCHEMBL7268347 0.87 MMP8 (0.51) MMP8MMP2MMP9MMP1ADAM17
SCHEMBL7268353 0.87 MMP8 (0.51) MMP8MMP2MMP9MMP1ADAM17
SCHEMBL7268334 0.78 MMP2 (0.46) MMP8MMP2MMP9MME
SCHEMBL10772819 0.73 MMP2 (0.61) MMP8MMP2MMP9MMEMMP1
SCHEMBL6622312 0.72 MMP1 (0.52) NTSR1MMP1ADAM17
SCHEMBL13957289 0.72 MMP2 (0.50) MMP8MMP2MMP9MMEHTR5A
SCHEMBL20272582 0.72 MMP2 (0.52) MMP8MMP2MMP9HTR5A
SCHEMBL5098994 0.71 NTSR1 (0.58) MMP2NTSR1MMP1ADAM17
SCHEMBL5099014 0.71 NTSR1 (0.58) MMP2NTSR1MMP1ADAM17

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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