SCHEMBL9506753

SCHEMBL9506753

COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.55
PTGDR2 Q9Y5Y4 8/20 0.53
MRGPRX4 Q96LA9 3/20 0.53
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
PPOX P50336 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PPARD Q03181 2/20 0.48
CFTR P13569 1/20 0.45

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
SCHEMBL11212740 0.85 TDP1 (0.54) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL11238106 0.85 TDP1 (0.58) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL1574572 0.85 MRGPRX4 (0.53) FFAR1PTGDR2MRGPRX4MEN1TTR
SCHEMBL8381442 0.85 MRGPRX4 (0.53) FFAR1PTGDR2MRGPRX4MEN1TTR
SCHEMBL8378639 0.84 MEN1 (0.64) FFAR1PTGDR2MRGPRX4CYP2C19MEN1
SCHEMBL11441674 0.84 FFAR1 (0.58) FFAR1PTGDR2CYP2C19MEN1TTR
SCHEMBL9504837 0.83 MRGPRX4 (0.54) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL29448825 0.83 TDP1 (0.58) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL11854430 0.83 TDP1 (0.58) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL10617783 0.83 FFAR1 (0.70) FFAR1PTGDR2MRGPRX4CYP2C19MEN1

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