SCHEMBL18286402

SCHEMBL18286402

CCOC(=O)CCCC(=O)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
HPGD P15428 5/20 0.64
ALDH1A1 P00352 3/20 0.64
GAA P10253 2/20 0.59
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
ALOX12 P18054 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EGFR P00533 1/20 0.53
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51

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
SCHEMBL3067050 0.94 HPGD (0.66) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL28855893 0.91 ALDH1A1 (0.70) HPGDALDH1A1EGFRHDAC3HDAC4
SCHEMBL5592685 0.85 MAPT (0.63) MAPTHPGDALDH1A1GAAHTT
SCHEMBL1233439 0.85 HDAC1 (0.66) MAPTHPGDALDH1A1GAAEGFR
SCHEMBL22773526 0.83 HPGD (0.61) MAPTHPGDGAAMEN1KMT2A
SCHEMBL18256373 0.82 KLK7 (0.57) MAPTHPGDALDH1A1EGFRLMNA
SCHEMBL9479632 0.82 MAPT (0.81) MAPTHPGDALDH1A1GAAMAPK1
SCHEMBL18660195 0.82 MAPT (0.74) MAPTHPGDALDH1A1GAAEGFR
SCHEMBL18256371 0.81 KLK7 (0.56) ALDH1A1EGFRHDAC3HDAC4HDAC1
SCHEMBL7828249 0.81 MAPT (0.69) MAPTHPGDALDH1A1GAAMEN1

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-9512380-B2 Hindered phenol compound, preparation thereof and use thereof as an antioxidant CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-12-06 US disclosed