SCHEMBL8932889

SCHEMBL8932889

CCOC(=O)CCC(C)C(COS(=O)(=O)c1ccc(C)cc1)CP=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
GAA P10253 2/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL7449561 0.73 L3MBTL1 (0.40) ALDH1A1POLBKMT2ALMNAGAA
SCHEMBL10584998 0.73 ALDH1A1 (0.47) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL22660135 0.71 L3MBTL1 (0.52) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL8530708 0.70 ALDH1A1 (0.37) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL4753838 0.70 CA12 (0.47) ALDH1A1GAASTAT3
SCHEMBL1995195 0.70 GAA (0.54) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL17941037 0.70 L3MBTL1 (0.48) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL8056281 0.70 GAA (0.42) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL4754272 0.70 GAA (0.42) ALDH1A1POLBKMT2ALMNAGAA
SCHEMBL4757045 0.69 GAA (0.45) ALDH1A1KMT2ALMNAGAASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed