SCHEMBL6149869

SCHEMBL6149869

CO/C=C(/C(=O)O)c1ccccc1COc1cc(Cl)c(OCC=C(Br)C(F)(F)F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
NR4A2 P43354 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HIF1A Q16665 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RIN1 Q13671 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6149871 1.00 MRGPRX4 (0.34) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL5080524 0.92 HIF1A (0.37) MRGPRX4HTTHIF1AMEN1KMT2A
SCHEMBL6150687 0.90 TP53 (0.34) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL5076950 0.90 RAB9A (0.35) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL6150689 0.90 TP53 (0.34) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL5076952 0.90 RAB9A (0.35) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL5076947 0.90 RAB9A (0.35) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL6148370 0.90 TP53 (0.37) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL6148366 0.90 TP53 (0.37) MRGPRX4TP53HTTNR4A2RAB9A
SCHEMBL5075823 0.87 TP53 (0.37) MRGPRX4TP53HTTNR4A2RAB9A

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
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 WO disclosed