SCHEMBL9130573

SCHEMBL9130573

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(Br)c(Br)c(O)c(O)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
ALDH1A1 P00352 3/20 0.62
BRCA1 P38398 3/20 0.62
HSD17B10 Q99714 3/20 0.62
ALOX12 P18054 3/20 0.62
CYP2C9 P11712 2/20 0.62
ALOX15 P16050 2/20 0.62
FTO Q9C0B1 9/20 0.54
MAPT P10636 3/20 0.54
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMAD3 P84022 2/20 0.54
PRMT1 Q99873 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
BLM P54132 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
CYP3A4 P08684 2/20 0.42

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
SCHEMBL340741 0.91 HPGD (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL10435860 0.90 HPGD (0.62) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL2322100 0.82 HPGD (0.54) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL293820 0.80 FTO (0.59) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL1908131 0.80 HPGD (0.63) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL9056795 0.80 HPGD (0.51) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL7527626 0.79 FTO (0.58) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL7517672 0.79 FTO (0.58) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL498269 0.79 FTO (0.58) HPGDALDH1A1BRCA1HSD17B10ALOX12
SCHEMBL27664913 0.79 FTO (0.58) HPGDALDH1A1BRCA1HSD17B10ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US claimed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed