SCHEMBL27685149

SCHEMBL27685149

Oc1ccccc1-c1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
ESR2 Q92731 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.49
GSTP1 P09211 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 6/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MCL1 Q07820 2/20 0.48
MAOB P27338 2/20 0.48
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL27685147 0.84 ALOX5 (0.68) ALOX5ESR2MRGPRX4GSTP1LMNA
SCHEMBL8984340 0.82 ALOX5 (0.92) ALOX5MRGPRX4LMNACYP1A2PTGS1
SCHEMBL3818205 0.81 ALOX5 (0.77) ALOX5MRGPRX4LMNACYP1A2PTGS1
SCHEMBL51460 0.78 ALOX5 (1.00) ALOX5MRGPRX4LMNACYP1A2PTGS1
SCHEMBL6350004 0.77 ALOX5 (0.76) ALOX5MRGPRX4LMNACYP1A2PTGS1
Methyl Alcohol SCHEMBL29235268 0.77 ALOX5 (0.89) ALOX5MRGPRX4LMNACYP1A2PTGS1
SCHEMBL28662350 0.77 ALOX5 (0.89) ALOX5MRGPRX4LMNACYP1A2PTGS1
SCHEMBL217638 0.77 ESR2 (0.78) ALOX5ESR2GSTP1CYP1A2SLC6A2
SCHEMBL30463004 0.77 ESR2 (0.78) ALOX5ESR2GSTP1CYP1A2SLC6A2
SCHEMBL23483149 0.76 ALOX5 (0.79) ALOX5MRGPRX4GSTP1MAPTMAPK1

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-101065372-B 1-alkynyl-2-aryloxyalkylamides and their use as fungicides SYNGENTA PARTICIPATIONS AG 2011-05-18 CN disclosed
CN-101065372-A 1-alkynyl-2-aryloxyalkylamides and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2007-10-31 CN disclosed