SCHEMBL8049130

SCHEMBL8049130

CC(C)CNC(=O)CC(CC(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.57
MAPT P10636 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
CPA1 P15085 1/20 0.43
HPGD P15428 2/20 0.39
SLC1A1 P43005 1/20 0.39
ANPEP P15144 1/20 0.39
LAP3 P28838 1/20 0.39
MMP8 P22894 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
MMP7 P09237 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
SLC7A5 Q01650 1/20 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
SCHEMBL8049132 1.00 MME (0.57) MMEMAPTCYP2D6CYP2C19SLC1A3
SCHEMBL8379105 0.81 MMP2 (0.54) CYP2D6CYP2C19MMP8MMP1MMP2
SCHEMBL8269110 0.80 MME (0.61) MMESLC1A3SLC1A2CPA1MMP8
SCHEMBL7094956 0.79 CYP2D6 (0.42) MMEMAPTCYP2D6CYP2C19CPA1
SCHEMBL20628537 0.78 MME (0.69) MMEMAPTSLC1A3SLC1A2CPA1
SCHEMBL19364678 0.78 CYP2D6 (0.48) MAPTCYP2D6CYP2C19HPGDMMP8
SCHEMBL6644938 0.77 CYP2D6 (0.56) CYP2D6CYP2C19HPGDMMP8MMP1
SCHEMBL7262370 0.74 MME (0.56) MMESLC1A3SLC1A2CPA1SLC1A1
SCHEMBL5870523 0.74 MME (0.56) MMESLC1A3SLC1A2CPA1SLC1A1
SCHEMBL307076 0.74 MME (0.56) MMESLC1A3SLC1A2CPA1SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124329-A AN ENZYME INHIBITOR FOR THE TREATMENT OR PROPHYLAXIS OF TISSUE BREAKDOWN, FOR EXAMPLE RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR, MULTIPLE SCLEROSIS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2000-09-26 US disclosed
US-5962529-A OSTEOPOROSIS; RHEUMATIC DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-10-05 US disclosed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO disclosed