SCHEMBL9768319

SCHEMBL9768319

CC(Cl)C(O)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
GRIA1 P42261 4/20 0.38
CACNG8 Q8WXS5 4/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL7428387 0.81 MAPT (0.45) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL29910923 0.78 MAPT (0.58) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL4569783 0.78 MAPT (0.58) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL265030 0.75 MAPT (0.48) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL4136607 0.75 PTGS2 (0.55) MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL265008 0.74 GAA (0.49) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL13969591 0.72 ALDH1A1 (0.48) MAPTALDH1A1GAAPKMRAB9A
SCHEMBL19880496 0.72 MAPT (0.46) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL18500486 0.70 PKM (0.44) MAPTALDH1A1KDM4EGAAGRIA1
SCHEMBL9768297 0.70 MAPT (0.43) MAPTALDH1A1KDM4EGAARAB9A

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
US-5034401-A Cardiovascular disorders or antiischemia agents SYNTHELABO (FR) 1991-07-23 US disclosed