SCHEMBL7375640

SCHEMBL7375640

CCOC(=O)[C@H](CC(C)C)NC(C)P(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.39
GAA P10253 1/20 0.38
ADAM17 P78536 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
TAS1R3 Q7RTX0 5/20 0.35
TAS1R1 Q7RTX1 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FPR2 P25090 4/20 0.34
HSD17B10 Q99714 1/20 0.33
CAD P27708 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CAPN9 O14815 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9501960 0.86 PPID (0.38) PPIDADAM17MMP1MMP3MMP9
SCHEMBL7376495 0.86 ALDH1A1 (0.43) GAAADAM17MMP1MMP3MMP9
SCHEMBL7376499 0.86 ALDH1A1 (0.43) GAAADAM17MMP1MMP3MMP9
SCHEMBL13879602 0.78 PPID (0.44) PPIDGAATAS1R3TAS1R1CAD
SCHEMBL7327259 0.76 BIRC2 (0.41) GAAADAM17MMP1MMP3MMP9
SCHEMBL6922463 0.75 GAA (0.40) GAAADAM17MMP1MMP3MMP9
SCHEMBL10974177 0.73 ALDH1A1 (0.43) PPIDMMP1MMP3CADL3MBTL1
SCHEMBL18512760 0.73 PPID (0.42) PPIDGAAADAM17MMP1MMP3
SCHEMBL10974215 0.73 ALDH1A1 (0.43) PPIDMMP1MMP3CADL3MBTL1
SCHEMBL17198435 0.72 PPID (0.41) PPIDADAM17MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320118-B1 PEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1993-06-02 EP disclosed
US-5212163-A Phosphonate dipeptide or tripeptide derivatives as collagenase inhibitors for treatment of connective tissue disorders BEECHAM GROUP P.L.C. (GB) 1993-05-18 US disclosed
EP-0401963-A1 Phosphonopeptides with collagenase inhibiting activity Beecham Group p.l.c. (GB) 1990-12-12 EP disclosed
US-4935404-A ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1990-06-19 US disclosed
EP-0320118-A2 Peptides with collagenase inhibiting activity BEECHAM GROUP PLC (GB) 1989-06-14 EP disclosed