SCHEMBL8896734

SCHEMBL8896734

CNC(=O)/C(=N/OC)c1ccccc1COc1cc(C)c(C(C)=O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.47
MAOB P27338 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
PARP1 P09874 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8898140 0.92 HIF1A (0.48) HIF1AMRGPRX4TP53HTT
SCHEMBL8897295 0.91 HIF1A (0.47) HIF1APARP1AKR1C1MRGPRX4TP53
SCHEMBL8898206 0.89 HIF1A (0.60) HIF1AMAOBSGMS2PARP1AKR1C1
SCHEMBL9080938 0.89 HIF1A (0.60) HIF1AMAOBSGMS2PARP1AKR1C1
SCHEMBL7525484 0.89 HIF1A (0.48) HIF1AMAOBMRGPRX4
SCHEMBL9277223 0.89 HIF1A (0.48) HIF1AMAOBMRGPRX4
SCHEMBL8896928 0.87 HIF1A (0.44) HIF1APARP1AKR1C1MRGPRX4TP53
SCHEMBL8898954 0.86 HIF1A (0.43) HIF1ASGMS2PARP1AKR1C1HTT
SCHEMBL8897947 0.86 HIF1A (0.43) HIF1AMRGPRX4TP53HTTPTGDR2
SCHEMBL8898398 0.86 HIF1A (0.43) HIF1AMRGPRX4TP53HTTPTGDR2

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
US-5696161-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5545664-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed