SCHEMBL7414589

SCHEMBL7414589

CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.53
PYGL P06737 4/20 0.40
PYGM P11217 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KYAT1 Q16773 1/20 0.39
KYAT3 Q6YP21 1/20 0.39
GAA P10253 1/20 0.39
CCKBR P32239 1/20 0.38
SCN9A Q15858 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL7419284 0.86 AADAT (0.40) AADATPYGLPYGMNFKB1NFKB2
SCHEMBL10207849 0.86 BACE1 (0.41) AADATPYGLPYGMNFKB1NFKB2
SCHEMBL7418053 0.84 AADAT (0.38) AADATPYGLPYGMNFKB1NFKB2
SCHEMBL10036781 0.83 AADAT (0.37) AADATNFKB1NFKB2RELAKYAT1
SCHEMBL9886278 0.83 DRD2 (0.46) AADATPYGLPYGMNFKB1NFKB2
SCHEMBL6763198 0.83 AADAT (0.49) AADATPYGLPYGMNFKB1NFKB2
SCHEMBL7424083 0.80 HTT (0.50) PYGLCCKBR
SCHEMBL9886179 0.80 KYAT1 (0.44) AADATPYGLPYGMKYAT1KYAT3
SCHEMBL7848691 0.80 XIAP (0.46) PYGLCCKBRSCN9A
SCHEMBL9886290 0.78 AADAT (0.43) AADATPYGLPYGMKYAT1KYAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed