SCHEMBL9507629

SCHEMBL9507629

CCOC(=O)CSC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1OC(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL9504853 0.88 FFAR1 (0.42) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503643 0.86 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503670 0.86 MEN1 (0.47) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503943 0.83 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507497 0.83 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507544 0.83 MEN1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507539 0.83 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11265963 0.82 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503642 0.82 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507156 0.81 FFAR1 (0.49) 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