SCHEMBL9505781

SCHEMBL9505781

CCCCOC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MRGPRX4 Q96LA9 5/20 0.48
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
ESR1 P03372 1/20 0.44
PNLIP P16233 2/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.42

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
SCHEMBL9504837 0.85 MRGPRX4 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL12522273 0.84 TSHR (0.53) TDP1ESR1POLB
SCHEMBL9503682 0.84 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8619521 0.83 ESR1 (0.52) MEN1KMT2ATDP1MRGPRX4PPARD
SCHEMBL9503961 0.82 MEN1 (0.56) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11116172 0.82 TDP1 (0.68) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9506722 0.81 MEN1 (0.66) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8615442 0.80 TSHR (0.52) KMT2ATDP1MRGPRX4ESR1POLB
SCHEMBL11241728 0.79 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9507509 0.79 FFAR1 (0.46) 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