SCHEMBL7424083

SCHEMBL7424083

CCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
USP2 O75604 1/20 0.47
CCKBR P32239 4/20 0.46
LMNA P02545 1/20 0.46
PYGL P06737 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7421691 0.86 CCKBR (0.51) CCKBR
SCHEMBL7418053 0.82 AADAT (0.38) CCKBRPYGL
SCHEMBL7414589 0.80 AADAT (0.53) CCKBRPYGL
SCHEMBL7848691 0.80 XIAP (0.46) CCKBRPYGLALDH1A1
SCHEMBL7419284 0.79 AADAT (0.40) CCKBRPYGL
SCHEMBL7568437 0.78 CCKBR (0.46) CCKBR
SCHEMBL8888599 0.78 CCKBR (0.49) CCKBRPYGL
SCHEMBL10499355 0.78 CCKBR (0.46) CCKBR
SCHEMBL7598390 0.78 CCKBR (0.63) CCKBR
SCHEMBL7564700 0.78 CCKBR (0.63) CCKBR

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