SCHEMBL7273646

SCHEMBL7273646

CCCC[C@H](NC(=O)[C@H](Cc1ccnc2ccccc12)CS(=O)(=O)CC)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MME P08473 1/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ CTSK P43235 4/20 0.38
▸ PREP P48147 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ BIRC2 Q13490 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ MMP2 P08253 4/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ MMP8 P22894 1/20 0.35

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
SCHEMBL7287836 0.81 CTSS (0.44) MMP9MMP1MMP3MMEECE1
SCHEMBL7268423 0.81 CTSK (0.42) MMP9MMECTSKMMP2MMP8
SCHEMBL7278238 0.80 CTSK (0.43) MMP9MMP1MMP3MMEECE1
SCHEMBL7267552 0.79 CTSK (0.45) MMP9MMP1MMP3MMEECE1
SCHEMBL7274591 0.78 CTSK (0.40) MMP9MMP1MMP3MMEECE1
SCHEMBL7266821 0.78 MME (0.45) MMP9MMP1MMP3MMEECE1
SCHEMBL7276785 0.77 CTSS (0.41) MMP9MMP1MMP3MMEECE1
SCHEMBL7287432 0.77 CTSK (0.41) MMP9MMP1MMP3MMEECE1
SCHEMBL7276776 0.77 CTSS (0.41) MMP9MMP1MMP3MMEECE1
SCHEMBL7269759 0.77 CTSK (0.41) MMP9MMP1MMP3MMEECE1

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 5 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-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
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