SCHEMBL9072185

SCHEMBL9072185

O=Cc1ccc(O)c(OCCBr)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
ALDH5A1 P51649 2/20 0.57
ABAT P80404 2/20 0.57
HPGD P15428 2/20 0.57
TRIM24 O15164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
FDPS P14324 1/20 0.50
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PTGS2 P35354 1/20 0.48
AOX1 Q06278 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TOP2A P11388 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3684285 0.86 ALDH1A1 (0.70) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL359491 0.85 ALDH1A1 (0.68) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL972755 0.83 ALDH1A1 (0.76) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL19782689 0.83 ALDH1A1 (0.66) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL2890759 0.82 ALDH1A1 (0.73) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL1515911 0.82 ALDH1A1 (0.69) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL17782945 0.81 ALDH1A1 (0.72) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL14323012 0.81 ALDH1A1 (0.71) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL1098158 0.81 ALDH1A1 (0.67) ALDH1A1ALDH5A1ABATHPGDTRIM24
SCHEMBL1238727 0.80 FDPS (0.50) ALDH1A1ALDH5A1ABATHPGDTRIM24

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed