SCHEMBL9504829

SCHEMBL9504829

CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MRGPRX4 Q96LA9 5/20 0.41
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9503662 0.94 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503642 0.94 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9504842 0.92 MEN1 (0.53) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503943 0.87 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507539 0.86 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10646108 0.85 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10643884 0.85 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507156 0.84 FFAR1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503637 0.84 MEN1 (0.53) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507509 0.84 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A

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