SCHEMBL9507631

SCHEMBL9507631

CCOC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.47
FFAR1 O14842 2/20 0.44
IDH1 O75874 1/20 0.43
SCN9A Q15858 6/20 0.43
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL9505798 0.89 FFAR1 (0.47) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL9503943 0.87 FFAR1 (0.48) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL9503637 0.86 MEN1 (0.53) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL9507156 0.86 FFAR1 (0.49) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL9507648 0.86 FFAR1 (0.48) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL9505800 0.83 FFAR1 (0.46) MRGPRX4FFAR1IDH1SCN9AMEN1
SCHEMBL11262624 0.82 FFAR1 (0.51) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL11433088 0.82 FFAR1 (0.50) MRGPRX4FFAR1IDH1MEN1TTR
SCHEMBL9714362 0.81 FFAR1 (0.54) MRGPRX4FFAR1IDH1MEN1TTR
Lactofen SCHEMBL3666513 0.81 MEN1 (0.56) MRGPRX4FFAR1SCN9AMEN1TTR

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-0281103-B1 PHENOXYCARBOXYLIC ACID COMPOUNDS AND HERBICIDE COMPRISING IT AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-06-23 EP disclosed
US-4845264-A PRE- AND POST-EMERGENCE FOR BROAD-LEAVED WEEDS TEIJIN LIMITED (JP) 1989-07-04 US disclosed
EP-0281103-A2 Phenoxycarboxylic acid compounds and herbicide comprising it as active ingredient TEIJIN LIMITED (JP) 1988-09-07 EP disclosed