SCHEMBL8895406

SCHEMBL8895406

CC(C)(C)N(CC(=O)Nc1n[nH]c(=S)s1)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.52
MMP1 P03956 4/20 0.51
HRAS P01112 6/20 0.49
MMP2 P08253 1/20 0.47
HDAC8 Q9BY41 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL7431835 0.88 MMP3 (0.51) MMP3MMP1HRASMMP2HDAC8
SCHEMBL7481373 0.85 MMP3 (0.51) MMP3MMP1HRASMMP2HDAC8
SCHEMBL7358551 0.83 MMP3 (0.56) MMP3MMP1MMP2HDAC8
SCHEMBL7365138 0.81 ITGB3 (0.57) HRASHDAC8ITGB3ITGA2B
SCHEMBL8896527 0.80 MMP3 (0.57) MMP3MMP1MMP2HDAC8
SCHEMBL7358578 0.79 MMP3 (0.56) MMP3MMP1MMP2HDAC8
SCHEMBL7394276 0.78 MMP3 (0.55) MMP3MMP1MMP2HDAC8ITGB3
SCHEMBL6964283 0.78 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL6964276 0.78 MMP3 (0.65) MMP3MMP1MMP2
SCHEMBL7388232 0.78 MMP3 (0.47) MMP3MMP1MMP2

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-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed