SCHEMBL9502392

SCHEMBL9502392

COc1ccc(C[C@@H](C(N)=O)N(C)C(=O)[C@H](CC(C)C)NCP(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 13/20 0.41
▸ MMP3 P08254 3/20 0.40
▸ MMP9 P14780 3/20 0.40
▸ ADAM17 P78536 3/20 0.40
▸ ANPEP P15144 2/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ ERAP2 Q6P179 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
SCHEMBL10495976 1.00 MMP1 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL9502464 0.89 MMP9 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL7276240 0.89 MMP1 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL7276267 0.89 MMP1 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL10421861 0.88 MMP1 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL9502135 0.86 MMP1 (0.40) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL9502367 0.82 MMP1 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL9502428 0.82 MMP1 (0.41) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL7321509 0.82 MMP1 (0.38) MMP1
SCHEMBL7329609 0.80 SLC6A4 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320118-B1 PEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1993-06-02 — — EP claimed
US-4935404-A ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1990-06-19 — — US claimed
EP-0320118-A2 Peptides with collagenase inhibiting activity BEECHAM GROUP PLC (GB) 1989-06-14 — — EP claimed
EP-0320118-B1 PEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1993-06-02 — — EP disclosed
US-4935404-A ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1990-06-19 — — US disclosed
EP-0320118-A2 Peptides with collagenase inhibiting activity BEECHAM GROUP PLC (GB) 1989-06-14 — — EP disclosed
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