SCHEMBL9506728

SCHEMBL9506728

COC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1OC(C)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PNLIP P16233 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL9507464 0.91 TDP1 (0.53) TDP1FFAR1SMN1; SMN2HPGDMEN1
SCHEMBL10702658 0.88 SMN1; SMN2 (0.50) TDP1FFAR1SMN1; SMN2HPGDMEN1
SCHEMBL9507539 0.86 FFAR1 (0.48) TDP1FFAR1HPGDMEN1KMT2A
Diclofop-Methyl SCHEMBL55275 0.84 MAPT (0.56) TDP1FFAR1SMN1; SMN2HPGDMEN1
Diclofop-Methyl SCHEMBL9139752 0.84 MAPT (0.56) TDP1FFAR1SMN1; SMN2HPGDMEN1
Diclofop-Methyl SCHEMBL29446684 0.84 MAPT (0.56) TDP1FFAR1SMN1; SMN2HPGDMEN1
Diclofop-Methyl SCHEMBL1495949 0.84 MAPT (0.56) TDP1FFAR1SMN1; SMN2HPGDMEN1
SCHEMBL9826771 0.83 FFAR1 (0.46) TDP1FFAR1SMN1; SMN2HPGDMEN1
SCHEMBL9572461 0.82 FFAR1 (0.45) TDP1FFAR1SMN1; SMN2HPGDMEN1
SCHEMBL11408337 0.81 TDP1 (0.71) TDP1FFAR1SMN1; SMN2MAPTALDH1A1

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