SCHEMBL9503662

SCHEMBL9503662

COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1OC(C)C(=O)OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
MRGPRX4 Q96LA9 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
CFTR P13569 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL9504829 0.94 FFAR1 (0.49) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9503642 0.93 FFAR1 (0.48) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9503943 0.93 FFAR1 (0.48) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9507539 0.92 FFAR1 (0.48) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9504842 0.90 MEN1 (0.53) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9507509 0.90 FFAR1 (0.46) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9505704 0.87 FFAR1 (0.49) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9503648 0.86 FFAR1 (0.46) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9507544 0.84 MEN1 (0.55) FFAR1MRGPRX4TDP1MEN1TTR
SCHEMBL9507497 0.84 FFAR1 (0.48) FFAR1MRGPRX4TDP1MEN1TTR

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-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