SCHEMBL8949116

SCHEMBL8949116

CO/N=C(\C)c1ccc(OCc2ccccc2/C(C)=C\C(=O)O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.48
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 1/20 0.41
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
MRGPRX4 Q96LA9 5/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
FOLH1 Q04609 1/20 0.37

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
SCHEMBL8948887 0.91 HIF1A (0.50) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL8949001 0.84 HIF1A (0.49) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL8948971 0.80 TP53 (0.51) FFAR4FFAR1MRGPRX4RECQLTP53
SCHEMBL28024479 0.78 HIF1A (0.43) HIF1APPARGPPARDPPARAMRGPRX4
SCHEMBL8900563 0.76 HIF1A (0.44) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL8900558 0.76 HIF1A (0.44) HIF1APPARGPPARDPPARAFFAR4
SCHEMBL8898803 0.75 HIF1A (0.60) HIF1AMRGPRX4TP53HTTFOLH1
SCHEMBL7595205 0.75 HIF1A (0.60) HIF1AMRGPRX4
SCHEMBL27877447 0.75 MRGPRX4 (0.59) FFAR4MRGPRX4TP53HTTFOLH1
SCHEMBL7525484 0.73 HIF1A (0.48) HIF1AMRGPRX4

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-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed