SCHEMBL7268353

SCHEMBL7268353

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ ADAM17 P78536 5/20 0.41
▸ MMP1 P03956 4/20 0.40
▸ MAPT P10636 9/20 0.39
▸ NPSR1 Q6W5P4 7/20 0.39
▸ POLB P06746 5/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL7268347 1.00 MMP8 (0.51) MMP8MMP2MMP9ADAM17MMP1
SCHEMBL7266481 0.87 MMP8 (0.55) MMP8MMP2MMP9ADAM17MMP1
SCHEMBL7266488 0.87 MMP8 (0.55) MMP8MMP2MMP9ADAM17MMP1
SCHEMBL19792929 0.70 ADAM17 (0.49) ADAM17MMP1MAPTPOLBALDH1A1
SCHEMBL31407521 0.69 CTSS (0.54) MMP8MMP2MMP9MAPTALDH1A1
SCHEMBL31407528 0.69 CTSS (0.54) MMP8MMP2MMP9MAPTALDH1A1
SCHEMBL7268423 0.69 CTSK (0.42) MMP8MMP2MMP9
SCHEMBL7268334 0.69 MMP2 (0.46) MMP8MMP2MMP9KMT2A
SCHEMBL7287836 0.67 CTSS (0.44) MMP8MMP2MMP9MMP1
SCHEMBL7419531 0.66 ADAM17 (0.56) MMP8MMP2MMP9ADAM17MMP1

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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