SCHEMBL28292246

SCHEMBL28292246

CCCC(=O)OCC.c1ccc(COc2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
NR4A2 P43354 1/20 0.55
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
MAOA P21397 1/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
PPARD Q03181 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50

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
SCHEMBL10733098 0.88 FFAR1 (0.60) MAOBNR4A2KDM4EALDH1A1PKM
SCHEMBL13720748 0.87 PPARA (0.62) MAOBNR4A2KDM4EALDH1A1PKM
SCHEMBL27633327 0.87 MAOB (0.57) MAOBNR4A2KDM4EALDH1A1PKM
SCHEMBL1171676 0.87 CYSLTR2 (0.62) MAOBNR4A2CYSLTR2CYSLTR1L3MBTL1
SCHEMBL1008116 0.84 LTB4R (0.61) MAOBNR4A2KDM4EALDH1A1PKM
SCHEMBL8550067 0.83 LMNA (0.49) MAOBNR4A2NR1H4CYSLTR2CYSLTR1
SCHEMBL8545627 0.80 MAOB (0.47) MAOBNR4A2LMNAL3MBTL1PPARG
SCHEMBL1819500 0.80 PTPN1 (0.68) MAOBNR4A2NR1H4MEN1KMT2A
SCHEMBL4852083 0.80 MEN1 (0.56) MAOBALDH1A1NR1H4LMNAL3MBTL1
SCHEMBL2773462 0.80 FFAR1 (0.68) ALDH1A1NR1H4FFAR1LMNAL3MBTL1

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
CN-109609217-A A kind of high fuel value natural gas 江苏信驰能源科技有限公司 2019-04-12 CN claimed