SCHEMBL7423564

SCHEMBL7423564

COc1ccc2c(c1)N(OC)C(=O)[C@@H](NC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.46
KYAT3 Q6YP21 1/20 0.46
AADAT Q8N5Z0 1/20 0.46
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
KDM1A O60341 1/20 0.38
CCKBR P32239 1/20 0.38
GAA P10253 2/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PRKDC P78527 1/20 0.37
MMP8 P22894 2/20 0.36
XIAP P98170 1/20 0.36
MMP3 P08254 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 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
SCHEMBL7420732 0.89 KYAT1 (0.42) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL23119152 0.88 GAA (0.38) PYGLPYGMKDM1AGAANFKB1
SCHEMBL9974767 0.87 DRD2 (0.37) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL7419284 0.87 AADAT (0.40) AADATPYGLPYGMCCKBRGAA
SCHEMBL9974770 0.84 LIPG (0.39) PYGLPYGM
SCHEMBL3781776 0.81 CCKBR (0.39) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL9886293 0.81 KDM1A (0.38) KYAT1KYAT3AADATKDM1AGAA
SCHEMBL23119153 0.78 NPY1R (0.45) CCKBR
SCHEMBL24190214 0.78 GAA (0.38) GAANFKB1NFKB2RELA
SCHEMBL6832201 0.77 BACE1 (0.41) PYGLPYGMKDM1AGAANFKB1

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