SCHEMBL9504837

SCHEMBL9504837

COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
TTR P02766 1/20 0.54
PPOX P50336 1/20 0.54
KMT2A Q03164 1/20 0.54
FFAR1 O14842 5/20 0.52
CFTR P13569 1/20 0.50
PNLIP P16233 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
STK39 Q9UEW8 2/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46

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
SCHEMBL8376803 0.91 TDP1 (0.56) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11238106 0.90 TDP1 (0.58) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11212740 0.88 TDP1 (0.54) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL9503961 0.88 MEN1 (0.56) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL29448825 0.88 TDP1 (0.58) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11854430 0.88 TDP1 (0.58) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL11212778 0.87 TDP1 (0.57) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL9506722 0.86 MEN1 (0.66) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL10662019 0.86 TDP1 (0.56) MRGPRX4TDP1MEN1TTRPPOX
SCHEMBL10661113 0.86 TDP1 (0.56) MRGPRX4TDP1MEN1TTRPPOX

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