SCHEMBL8536325

SCHEMBL8536325

CON=C(C(=O)NCC(C)O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.42
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
PRMT5 O14744 1/20 0.35
KCNH2 Q12809 2/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC8A1 P32418 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8528118 0.88 HIF1A (0.46) HIF1AMAPK1MAPK14KCNH2KDM1A
SCHEMBL8529479 0.83 MAPK1 (0.47) HIF1AMAPK1MAPK14ALDH1A1KMT2A
SCHEMBL7462516 0.79 MAPK1 (0.46) MAPK1MAPK14ALDH1A1KMT2AMAPT
SCHEMBL8526539 0.78 HIF1A (0.46) HIF1AMEN1TP53KMT2AKCNH2
SCHEMBL8530604 0.78 HIF1A (0.50) HIF1AKCNH2KDM1AMAOAMAOB
SCHEMBL8534262 0.78 MAPK1 (0.39) HIF1AMAPK1MAPK14KCNH2KDM1A
SCHEMBL7462453 0.78 MAPK1 (0.39) HIF1AMAPK1MAPK14KCNH2KDM1A
SCHEMBL8540825 0.76 MAPK1 (0.43) MAPK1MAPK14ALDH1A1KCNH2KDM1A
SCHEMBL8529279 0.76 HIF1A (0.45) HIF1AKCNH2MAOB
SCHEMBL8821322 0.76 MAPK1 (0.48) MAPK1MAPK14TP53KCNH2HAO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed