SCHEMBL8317655

SCHEMBL8317655

CC(=O)OCc1cc(C(=O)CBr)ccc1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.38
PTGDR Q13258 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8315222 0.87 ALDH1A1 (0.51) MEN1KMT2APTGDR2L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8319675 0.86 MEN1 (0.46) MEN1KMT2APTGDR2L3MBTL1MAPT
SCHEMBL7545434 0.84 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL31655453 0.84 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7365310 0.79 MEN1 (0.61) MEN1KMT2APTGDR2L3MBTL1ITGB3
SCHEMBL11292433 0.78 GSK3B (0.48) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL11292437 0.78 GSK3B (0.48) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11313348 0.76 GSK3B (0.52) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL8319250 0.75 PTGDR2 (0.52) MEN1KMT2APTGDR2L3MBTL1MAPT
SCHEMBL6812958 0.74 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1MAPTALDH1A1

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
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed