SCHEMBL9502477

SCHEMBL9502477

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 4/20 0.42
▸ MMP2 P08253 3/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ MMP1 P03956 12/20 0.40
▸ ANPEP P15144 3/20 0.39
▸ ERAP2 Q6P179 2/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 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
SCHEMBL9502445 1.00 MMP9 (0.42) MMP9MMP2MMP8MMP13MMP14
SCHEMBL9502330 0.90 MMP1 (0.41) MMP9MMP2MMP1ANPEPERAP2
SCHEMBL9502292 0.90 MMP1 (0.41) MMP9MMP2MMP1ANPEPERAP2
SCHEMBL9502367 0.89 MMP1 (0.41) MMP9MMP2MMP1ANPEPERAP2
SCHEMBL9502428 0.89 MMP1 (0.41) MMP9MMP2MMP1ANPEPERAP2
SCHEMBL9502182 0.87 MMP1 (0.40) MMP9MMP2MMP1ANPEPERAP2
SCHEMBL9502092 0.87 MMP1 (0.40) MMP9MMP2MMP1ANPEPERAP2
SCHEMBL9502464 0.83 MMP9 (0.41) MMP9MMP2MMP8MMP13MMP14
SCHEMBL7321534 0.83 MMP1 (0.39) MMP9MMP1MMP3ADAM17
SCHEMBL7321498 0.83 MMP1 (0.39) MMP9MMP1MMP3ADAM17

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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