SCHEMBL8068667

SCHEMBL8068667

CNC(=O)[C@@H](NC(=O)C(CC(=O)O)CC1CCC1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.58
MMP13 P45452 5/20 0.58
MMP2 P08253 11/20 0.57
MMP3 P08254 10/20 0.57
MMP7 P09237 1/20 0.57
MMP9 P14780 3/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46

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
SCHEMBL8070574 0.85 MMP1 (0.52) MMP1MMP13MMP2MMP3MMP7
SCHEMBL4633112 0.76 MMP3 (0.74) MMP1MMP13MMP2MMP3MMP7
SCHEMBL5088865 0.76 MMP3 (0.74) MMP1MMP13MMP2MMP3MMP7
SCHEMBL8483002 0.74 MMP3 (0.57) MMP1MMP13MMP2MMP3MMP7
SCHEMBL5488356 0.73 LTA4H (0.47) MMP1MMP13MMP2MMP3
SCHEMBL5488359 0.73 LTA4H (0.47) MMP1MMP13MMP2MMP3
SCHEMBL8054978 0.73 MMP3 (1.00) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8042125 0.73 MMP3 (1.00) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8060175 0.73 MMP3 (1.00) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7452415 0.73 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066662-A USE IN CONTROL OR PREVENTION OF RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS OR IN THE TREATMENT OF INVASIVE TUMOURS, ATHEROSCLEROSIS OR MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. (US) 2000-05-23 US disclosed