SCHEMBL8801247

SCHEMBL8801247

O=C1Oc2ccc(O)cc2C1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 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 5/20 0.42
ESR2 Q92731 6/20 0.39
ESR1 P03372 5/20 0.39
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.36
THRB P10828 1/20 0.35
ELANE P08246 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8808451 0.85 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8708250 0.85 GAA (0.64) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL571812 0.85 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL571262 0.84 GAA (0.68) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8801493 0.84 GAA (0.43) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8810586 0.84 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8705625 0.81 ALDH1A1 (0.63) GAAALDH1A1HPGDGLAMEN1
SCHEMBL8809032 0.81 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL14701871 0.79 ESR2 (0.46) GAAMEN1KMT2AMAPTESR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575056-B1 Preparation of polycyclic dyes BASF AG (DE) 1997-09-17 EP disclosed
US-5362888-A Preparation of polycyclic dyes ZENECA LIMITED (GB) 1994-11-08 US disclosed
EP-0575056-A1 Preparation of polycyclic dyes ZENECA LIMITED (GB) 1993-12-22 EP disclosed