SCHEMBL21473009

SCHEMBL21473009

C[C@@H](NC(=O)C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.75
PDE2A O00408 2/20 0.52
UGT2B7 P16662 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCRTR1 O43613 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX5 P09917 1/20 0.48
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
MMP8 P22894 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HPGDS O60760 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46

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
SCHEMBL30544977 0.87 MMP9 (0.69) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL4575928 0.86 MMP9 (0.73) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL6627298 0.84 MMP9 (0.66) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL30796069 0.84 MMP9 (0.66) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL14986294 0.83 MMP9 (0.69) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL7734521 0.83 MMP9 (0.69) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL12121924 0.83 MMP9 (0.64) MMP9PDE2AMEN1KMT2AHPGDS
SCHEMBL9686076 0.81 MMP9 (0.75) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL1321496 0.81 MMP9 (0.66) MMP9PDE2AUGT2B7MEN1KMT2A
SCHEMBL9002961 0.80 ALDH1A1 (0.68) MMP9HCRTR1TDP1

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-3280701-B1 A METHOD OF CHIRAL RESOLUTION OF THE KEY INTERMEDIATE OF THE SYNTHESIS OF APREMILAST AND ITS USE FOR THE PREPARATION OF PURE APREMILAST ZENTIVA KS (CZ) 2019-10-16 EP disclosed