SCHEMBL9410263

SCHEMBL9410263

Cc1cc(CCC(=O)OCC2CO2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 3/20 0.43
MGLL Q99685 5/20 0.43
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3676323 0.94 KMT2A (0.50) KMT2AMEN1GAAMGLLPKM
SCHEMBL13121607 0.89 MGLL (0.49) MGLL
SCHEMBL2862674 0.85 GAA (0.51) KMT2AMEN1GAAPKMHTT
SCHEMBL551089 0.85 GAA (0.51) KMT2AMEN1GAAPKMHTT
SCHEMBL30504879 0.85 GAA (0.51) KMT2AMEN1GAAPKMHTT
SCHEMBL29586862 0.85 GAA (0.51) KMT2AMEN1GAAPKMHTT
SCHEMBL10408533 0.83 GAA (0.50) KMT2AMEN1GAAPKMHTT
SCHEMBL5492107 0.83 GAA (0.47) KMT2AMEN1GAAPKMHTT
SCHEMBL12574683 0.83 GAA (0.47) KMT2AMEN1GAAPKMHTT
SCHEMBL25141790 0.82 KMT2A (0.45) KMT2AMEN1GAAPKMHTT

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-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed