SCHEMBL9505800

SCHEMBL9505800

CCOC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)N(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCN9A Q15858 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
IDH1 O75874 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 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
SCHEMBL9503637 0.89 MEN1 (0.53) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9507156 0.89 FFAR1 (0.49) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9507648 0.88 FFAR1 (0.48) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9503943 0.87 FFAR1 (0.48) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9505798 0.86 FFAR1 (0.47) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11262624 0.85 FFAR1 (0.51) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL11433088 0.84 FFAR1 (0.50) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9714362 0.83 FFAR1 (0.54) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10963334 0.83 FFAR1 (0.58) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL9507631 0.83 MRGPRX4 (0.47) FFAR1MEN1KMT2ATTRPPOX

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