SCHEMBL20087547

SCHEMBL20087547

O=C1C=CC(=O)C(COCOCC2=CC(=O)C=CC2=O)=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.44
▸ MAOB P27338 4/20 0.44
▸ ACHE P22303 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ERBB2 P04626 1/20 0.37
▸ TDP1 Q9NUW8 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL7898065 0.77 ACHE (0.47) MAOAMAOBACHEBACE1ERBB2
SCHEMBL11492401 0.74 MAOA (0.41) MAOAMAOBACHEBACE1ERBB2
Hydrazine SCHEMBL28821631 0.74 ACHE (0.44) MAOAMAOBACHEBACE1ERBB2
SCHEMBL10600348 0.73 ACHE (0.52) MAOAMAOBACHEBACE1ERBB2
SCHEMBL28956714 0.72 MAOA (0.40) MAOAMAOBACHEBACE1ERBB2
SCHEMBL11492402 0.72 MAOA (0.44) MAOAMAOBACHEBACE1ERBB2
SCHEMBL15071872 0.72 MAOA (0.64) MAOAMAOBACHEBACE1ERBB2
SCHEMBL7915011 0.72 ACHE (0.61) MAOAMAOBACHEBACE1ERBB2
SCHEMBL8440875 0.70 MAOA (0.55) MAOAMAOB
SCHEMBL20087552 0.69 ACHE (0.69) MAOAMAOBACHEBACE1ERBB2

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-20180113337-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2018-04-26 — — US disclosed
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