SCHEMBL7420732

SCHEMBL7420732

CCON1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.42
KYAT3 Q6YP21 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
USP2 O75604 1/20 0.39
CCKBR P32239 1/20 0.38
XIAP P98170 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC8 Q9BY41 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35

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
SCHEMBL7423564 0.89 KYAT1 (0.46) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL7418053 0.87 AADAT (0.38) AADATPYGLPYGMCCKBRGAA
SCHEMBL7416568 0.84 SCN9A (0.43)
SCHEMBL3781776 0.78 CCKBR (0.39) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL9886293 0.78 KDM1A (0.38) KYAT1KYAT3AADATKDM1AGAA
SCHEMBL23119152 0.78 GAA (0.38) PYGLPYGMKDM1AGAA
SCHEMBL9974767 0.77 DRD2 (0.37) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL7419284 0.77 AADAT (0.40) AADATPYGLPYGMCCKBRGAA
SCHEMBL9886179 0.75 KYAT1 (0.44) KYAT1KYAT3AADATPYGLPYGM
SCHEMBL9974770 0.74 LIPG (0.39) PYGLPYGMHDAC1

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