SCHEMBL571812

SCHEMBL571812

O=C1Oc2ccc(O)cc2C1c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 7/20 0.44
HPGD P15428 6/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ESR2 Q92731 4/20 0.38
ESR1 P03372 4/20 0.38
NPC1 O15118 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
BRCA1 P38398 1/20 0.35

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
SCHEMBL8802445 0.91 GAA (0.54) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8708250 0.85 GAA (0.64) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8808451 0.85 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8801247 0.85 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL571262 0.84 GAA (0.68) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8809032 0.81 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8810586 0.81 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8705625 0.81 ALDH1A1 (0.63) GAAALDH1A1HPGDGLAMEN1
SCHEMBL9726098 0.79 GAA (0.47) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8801493 0.78 GAA (0.43) GAAALDH1A1HPGDGLAHSD17B10

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-2012017005-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2012-02-09 WO disclosed