SCHEMBL3274730

SCHEMBL3274730

O=C(O)CC(C(=O)OCc1ccc(CO)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM1 P11229 1/20 0.40
ATM Q13315 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
LMNA P02545 1/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL3274728 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL3901687 0.81 CNR2 (0.44) CASP1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL27494792 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AHCAR2MAPK1L3MBTL1
SCHEMBL21634088 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AHCAR2MAPK1L3MBTL1
SCHEMBL8705484 0.76 ALDH1A1 (0.47) CASP1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL1545922 0.76 MMP8 (0.53) ALDH1A1KMT2ASMN1; SMN2CHRM1GABBR2
SCHEMBL28207458 0.76 CHRM1 (0.63) ALDH1A1KMT2AHCAR2MAPK1L3MBTL1
SCHEMBL14691416 0.76 CHRM1 (0.63) ALDH1A1KMT2AHCAR2MAPK1L3MBTL1
SCHEMBL28219425 0.75 L3MBTL1 (0.59) ALDH1A1KMT2AL3MBTL1TDP1PPARG
SCHEMBL7635176 0.74 SLC6A2 (0.44) CASP1ALDH1A1SLC6A2SLC6A3PPARG

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-7691556-B2 Antireflective compositions for photoresists AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-04-06 US claimed