SCHEMBL9502464

SCHEMBL9502464

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.41
▸ MMP2 P08253 5/20 0.41
▸ MMP8 P22894 4/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP14 P50281 2/20 0.41
▸ MMP1 P03956 13/20 0.40
▸ MMP3 P08254 3/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ MMP7 P09237 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
SCHEMBL7276240 0.90 MMP1 (0.41) MMP9MMP2MMP8MMP13MMP1
SCHEMBL7276267 0.90 MMP1 (0.41) MMP9MMP2MMP8MMP13MMP1
SCHEMBL10495976 0.89 MMP1 (0.41) MMP9MMP2MMP1MMP3ADAM17
SCHEMBL9502392 0.89 MMP1 (0.41) MMP9MMP2MMP1MMP3ADAM17
SCHEMBL9502135 0.88 MMP1 (0.40) MMP9MMP2MMP1MMP3ADAM17
SCHEMBL10421861 0.84 MMP1 (0.41) MMP9MMP2MMP8MMP13MMP1
SCHEMBL9502477 0.83 MMP9 (0.42) MMP9MMP2MMP8MMP13MMP14
SCHEMBL9502445 0.83 MMP9 (0.42) MMP9MMP2MMP8MMP13MMP14
SCHEMBL7321509 0.83 MMP1 (0.38) MMP1
SCHEMBL7329609 0.78 SLC6A4 (0.46) MMP9MMP2MMP8MMP13MMP1

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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