SCHEMBL9507539

SCHEMBL9507539

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
KMT2A Q03164 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.46
CFTR P13569 1/20 0.44
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL9503642 0.92 FFAR1 (0.48) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9503943 0.92 FFAR1 (0.48) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9503662 0.92 FFAR1 (0.48) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9507544 0.92 MEN1 (0.55) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9507497 0.92 FFAR1 (0.48) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9505704 0.90 FFAR1 (0.49) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9507509 0.90 FFAR1 (0.46) FFAR1TDP1MEN1TTRPPOX
SCHEMBL11442480 0.89 FFAR1 (0.52) FFAR1TDP1MEN1TTRPPOX
SCHEMBL11258317 0.89 FFAR1 (0.54) FFAR1TDP1MEN1TTRPPOX
SCHEMBL9503648 0.89 FFAR1 (0.46) FFAR1TDP1MEN1TTRPPOX

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