SCHEMBL7217222

SCHEMBL7217222

COC1CCC(COCCCS(=O)(=O)CC(CCCN2C(=O)N(C)C(C)(C)C2=O)C(=O)NO)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.38
MMP3 P08254 7/20 0.38
MMP2 P08253 6/20 0.38
MMP9 P14780 6/20 0.38
MMP1 P03956 7/20 0.35
MMP8 P22894 5/20 0.35
ADAM17 P78536 3/20 0.35
MMP7 P09237 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL7078051 0.91 MMP2 (0.30) MMP13MMP3MMP2MMP9
SCHEMBL7077475 0.88
SCHEMBL7075518 0.78
SCHEMBL7080806 0.76 MMP3 (0.51) MMP13MMP3MMP2MMP9MMP1
SCHEMBL7077674 0.76 MMP13 (0.44) MMP13MMP3MMP2MMP9MMP1
SCHEMBL6948783 0.74 MMP13 (0.47) MMP13MMP3MMP2MMP9MMP1
SCHEMBL7074693 0.74
SCHEMBL7073721 0.72
SCHEMBL7077657 0.66 PLA2G7 (0.46) MMP13MMP3MMP2MMP9MMP1
SCHEMBL6954462 0.66 MMP3 (0.56) MMP13MMP3MMP2MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US claimed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed