SCHEMBL9503682

SCHEMBL9503682

CCCCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1OC(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.51
PTGDR2 Q9Y5Y4 5/20 0.47
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
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.41
PPARG P37231 3/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9507509 0.88 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9504832 0.88 MEN1 (0.51) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL9507486 0.85 MEN1 (0.58) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL9505781 0.84 FFAR1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9504829 0.83 FFAR1 (0.49) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL11186418 0.82 FFAR1 (0.60) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL9503642 0.81 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9503943 0.81 FFAR1 (0.48) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL9503637 0.81 MEN1 (0.53) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL9507539 0.81 FFAR1 (0.48) 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 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