SCHEMBL10451735

SCHEMBL10451735

CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)C(C)S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 20/20 1.00
▸ MMP3 P08254 2/20 0.76
▸ MMP9 P14780 2/20 0.76
▸ ADAM17 P78536 1/20 0.76
▸ MMP2 P08253 1/20 0.67

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
SCHEMBL10451722 0.91 MMP1 (0.83) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL9650310 0.89 MMP1 (0.86) MMP1MMP3MMP9ADAM17
SCHEMBL7284853 0.88 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7278285 0.88 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7275835 0.88 MMP1 (1.00) MMP1MMP3MMP9ADAM17
SCHEMBL7276467 0.88 MMP1 (1.00) MMP1MMP3MMP9ADAM17
SCHEMBL7284842 0.88 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7278293 0.88 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10429973 0.87 MMP1 (0.82) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7615635 0.87 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185380-B1 THIOL BASED COLLAGENASE INHIBITORS G.D. Searle & Co. (US) 1990-04-11 — — EP disclosed
US-4681966-A ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1987-07-21 — — US disclosed
EP-0185380-A2 Thiol based collagenase inhibitors G.D. Searle & Co. (US) 1986-06-25 — — EP disclosed
US-4595700-A Thiol based collagenase inhibitors G. D. SEARLE & CO. (US) 1986-06-17 — — US disclosed
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