SCHEMBL11904897

SCHEMBL11904897

O=C(/C=C/C(=O)OCCn1c(=O)[nH]c(=O)[nH]c1=O)OCCn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HCAR2 Q8TDS4 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
EGFR P00533 2/20 0.32
ERBB2 P04626 2/20 0.32

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
SCHEMBL20164126 0.90 HTT (0.36) ATMHTTSMN1; SMN2HCAR2MEN1
SCHEMBL1022968 0.86 TSHR (0.44) HTTSMN1; SMN2APEX1ALDH1A1HPGD
SCHEMBL28688620 0.80 APEX1 (0.35) HTTKMT2AAPEX1ALDH1A1HPGD
SCHEMBL10602750 0.77 GAA (0.57) HTTSMN1; SMN2MEN1KMT2AAPEX1
SCHEMBL28701024 0.77 GAA (0.38) APEX1ALDH1A1MAPTGAAPOLB
SCHEMBL28004951 0.77 TSHR (0.50) ATMHTTSMN1; SMN2APEX1ALDH1A1
SCHEMBL4990354 0.77 MAPT (0.39) HTTMEN1KMT2AAPEX1ALDH1A1
SCHEMBL19611365 0.77 APEX1 (0.45) ATMHTTSMN1; SMN2HCAR2MEN1
SCHEMBL6935085 0.77 GAA (0.36) APEX1ALDH1A1MAPTGAA
SCHEMBL3123974 0.76 GABBR2 (0.45) MEN1KMT2ANPSR1

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-20120207990-A1 PRODUCTION METHOD OF ANTIREFLECTION FILM, ANTIREFLECTION FILM AND COATING COMPOSITION FUJIFILM CORPORATION (JP) 2012-08-16 US disclosed