SCHEMBL7030293

SCHEMBL7030293

CC(C)(C)[C@H](NC(=O)[CH]CCSC(N)=O)C(=O)Nc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.51
MMP3 P08254 3/20 0.51
MMP9 P14780 3/20 0.51
MMP2 P08253 1/20 0.48
MMP7 P09237 1/20 0.48
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
FFAR2 O15552 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
HSPA5 P11021 1/20 0.36

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
SCHEMBL7018857 0.82 MMP1 (0.54) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7021767 0.82 MMP1 (0.54) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8652197 0.71 MMP1 (0.49) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8664026 0.71 MMP1 (0.51) MMP1MMP3MMP9MMP2MMP7
SCHEMBL1254966 0.69 POLB (0.57) MMP1MMP3MMP9POLBALDH1A1
SCHEMBL7117272 0.69 POLB (0.57) MMP1MMP3MMP9POLBALDH1A1
SCHEMBL8887821 0.67 MMP1 (0.76) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8899210 0.67 MMP1 (0.76) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8026514 0.67 MMP1 (0.76) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8190115 0.67 MMP1 (0.77) MMP1MMP3MMP9MMP2MMP7

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
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP disclosed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US disclosed