SCHEMBL19534232

SCHEMBL19534232

C[C@@H](C(F)F)[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.47
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 1/20 0.41
PPARG P37231 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL400737 0.86 AOC2 (0.50) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL1912118 0.82 AOC2 (0.47) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL403365 0.80 ACACB (0.49)
SCHEMBL19534339 0.76 AOC2 (0.45) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL21046322 0.76 AOC2 (0.45) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL21046323 0.76 AOC2 (0.45) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL2409466 0.74 TDP1 (0.57) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL19534337 0.74 AOC2 (0.55) AOC2MAPTRAB9APOLBALDH1A1
SCHEMBL12837594 0.73 AOC2 (0.41) AOC2
SCHEMBL19534214 0.73 PPARG (0.38) PPARGPDE4APDE4BPDE4CPDE4D

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-2017189586-A1 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2017-11-02 WO disclosed