SCHEMBL9171332

SCHEMBL9171332

CCP(=O)(CC)N1Cc2ccccc2CC1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.51
MMP1 P03956 11/20 0.51
MMP3 P08254 10/20 0.51
ADAM17 P78536 9/20 0.51
ADAM9 Q13443 9/20 0.51
AREG P15514 1/20 0.49

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
SCHEMBL13545530 0.79 CHEK1 (0.46) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL12992250 0.79 CHEK1 (0.46) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL12125014 0.78 NR1D1 (0.45) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL6369530 0.78 NR1D1 (0.45) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL29177033 0.77 CHEK1 (0.47) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL28611516 0.75 CHEK1 (0.45) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL29655525 0.75 CHEK1 (0.45) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL12878828 0.75 CHEK1 (0.45) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL15704266 0.75 CHEK1 (0.48) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL15704265 0.75 CHEK1 (0.48) MMP9MMP1MMP3ADAM17ADAM9

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-0650360-A1 PHOSPHONO DERIVATIVES AS ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1995-05-03 EP disclosed
WO-1994002152-A2 PHOSPHONO DERIVATIVES AS ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1994-02-03 WO disclosed