SCHEMBL9503643

SCHEMBL9503643

COC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
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
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 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
SCHEMBL9507544 0.89 MEN1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507539 0.89 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507497 0.89 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11442480 0.87 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11258317 0.87 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11436042 0.86 FFAR1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507629 0.86 FFAR1 (0.43) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507500 0.86 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503642 0.86 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9505794 0.85 FFAR1 (0.48) FFAR1TDP1SCN8ASCN10AMAPT

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