SCHEMBL8347644

SCHEMBL8347644

C=C(C(=O)OC)c1cccc(OC)c1COc1cc(C(F)(F)F)nc(OC(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
P2RX7 Q99572 5/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 4/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR4 P22455 1/20 0.33
HIF1A Q16665 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
SCHEMBL5997735 0.85 HIF1A (0.39) PTGS1PTGS2RXFP1CYP1A2HIF1A
SCHEMBL8352094 0.84 TP53 (0.36) KDM4EMAPK1RXFP1TP53LMNA
SCHEMBL8347119 0.83 NPSR1 (0.46) KDM4EMAPK1RXFP1TP53LMNA
SCHEMBL8347283 0.78 HIF1A (0.41) PTGS1PTGS2P2RX7KDM4ELMNA
SCHEMBL23960154 0.75 PTGS1 (0.38) PTGS1PTGS2KDM4EMAPK1LMNA
SCHEMBL5999116 0.75 HIF1A (0.38) PTGS1PTGS2RXFP1CYP1A2HIF1A
SCHEMBL5998920 0.75 HIF1A (0.38) PTGS1PTGS2CYP1A2HIF1A
SCHEMBL5997731 0.75 HIF1A (0.38) PTGS1PTGS2CYP1A2HIF1A
Fluacrypyrim SCHEMBL5997532 0.74 HIF1A (0.37) PTGS1PTGS2CYP1A2HIF1A
Fluacrypyrim SCHEMBL29413955 0.74 HIF1A (0.37) PTGS1PTGS2CYP1A2HIF1A

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
US-5935965-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed