SCHEMBL8567853

SCHEMBL8567853

O=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 1.00
HPGD P15428 2/20 0.62
ACE2 Q9BYF1 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
BLM P54132 1/20 0.62
SMAD3 P84022 1/20 0.62
KMT2A Q03164 1/20 0.62
PRMT1 Q99873 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NAALAD2 Q9Y3Q0 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
BRCA1 P38398 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL29810840 0.96 FTO (0.92) FTOHPGDACE2MEN1MAPT
SCHEMBL8580142 0.94 FTO (0.88) FTOHPGDACE2MEN1MAPT
SCHEMBL8568046 0.87 FTO (0.77) FTOHPGDACE2MEN1MAPT
SCHEMBL8676628 0.86 FTO (0.76) FTOHPGDACE2MEN1MAPT
SCHEMBL543293 0.85 FTO (1.00) FTOHPGDACE2MEN1MAPT
SCHEMBL29938908 0.85 FTO (1.00) FTOHPGDACE2MEN1MAPT
SCHEMBL4600340 0.85 FTO (0.79) FTOHPGDACE2MEN1MAPT
SCHEMBL8571832 0.85 FTO (0.74) FTOHPGDACE2MEN1MAPT
SCHEMBL1032050 0.85 FTO (0.74) FTOHPGDACE2MEN1MAPT
SCHEMBL8571494 0.83 FTO (0.71) FTOHPGDACE2MEN1MAPT

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
US-5773236-A FLUORESCENT DYES FOR DETECTION OF ENZYMES FOR METABOLISM IN CELLS MOLECULE PROBES, INC. (US) 1998-06-30 US disclosed