SCHEMBL9505798

SCHEMBL9505798

CCOC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
MRGPRX4 Q96LA9 4/20 0.46
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDH1 O75874 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL9503943 0.90 FFAR1 (0.48) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9507156 0.90 FFAR1 (0.49) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9503637 0.90 MEN1 (0.53) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9507631 0.89 MRGPRX4 (0.47) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9507648 0.89 FFAR1 (0.48) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9505800 0.86 FFAR1 (0.46) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL11262624 0.85 FFAR1 (0.51) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL11433088 0.85 FFAR1 (0.50) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9714362 0.84 FFAR1 (0.54) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL10963334 0.84 FFAR1 (0.58) FFAR1MRGPRX4MEN1TTRPPOX

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