SCHEMBL20171343

SCHEMBL20171343

CC(C)CC(C)N(CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AGTR1 P30556 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34

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
SCHEMBL2741264 0.89 GAA (0.43) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2741286 0.89 GAA (0.43) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2741266 0.89 GAA (0.43) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL16740189 0.84 GAA (0.33) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL14963225 0.83 GAA (0.40) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL2741295 0.83 GAA (0.37) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL14963224 0.83 GAA (0.40) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL17322475 0.83 ALOX15 (0.34) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL17320087 0.82 ALDH1A1 (0.37) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL16748399 0.82 GAA (0.39) GAAKMT2AMEN1ALDH1A1MAPK1

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
EP-2952505-B1 A HINDERED PHENOL COMPOUND, PREPARATION THEREOF AND USE THEREOF AS AN ANTIOXIDANT CHINA PETROLEUM & CHEM CORP (CN) 2018-05-23 EP disclosed