SCHEMBL28560205

SCHEMBL28560205

C=Cc1ccccc1OC(C)(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 1/20 0.42
NFE2L2 Q16236 4/20 0.37
TRPA1 O75762 1/20 0.37
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
FBP1 P09467 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
BCHE P06276 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TFEB P19484 1/20 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
SCHEMBL28586820 0.84 LMNA (0.52) MAPK1ALDH1A1ALOX15NFE2L2TRPA1
SCHEMBL30414461 0.81 ALDH1A1 (0.45) MAPK1ALDH1A1NFE2L2TRPA1LMNA
SCHEMBL187272 0.81 ALDH1A1 (0.45) MAPK1ALDH1A1NFE2L2TRPA1LMNA
SCHEMBL23092018 0.79 MAPK1 (0.68) MAPK1ALDH1A1ALOX15LMNAKMT2A
Methane SCHEMBL1904173 0.79 ALDH1A1 (0.43) MAPK1ALDH1A1NFE2L2TRPA1LMNA
SCHEMBL6877807 0.78 FBP1 (0.34) MAPK1ALDH1A1FBP1
SCHEMBL6393965 0.77 ALDH1A1 (0.39) MAPK1ALDH1A1ALOX15NFE2L2LMNA
SCHEMBL3783784 0.75 ALDH1A1 (0.35) MAPK1ALDH1A1NFE2L2TRPA1LMNA
SCHEMBL27834941 0.75 ALDH1A1 (0.35) ALDH1A1NFE2L2TRPA1KMT2AMEN1
SCHEMBL14092265 0.74 HPGD (0.35) MAPK1ALDH1A1NFE2L2LMNAKMT2A

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
CN-107229185-B Energy-sensitive composition, cured product, and method for producing cured product 东京应化工业株式会社 2022-04-15 CN disclosed
CN-107207456-B Latent acids and their use 巴斯夫欧洲公司 2021-05-04 CN disclosed