SCHEMBL9506722

SCHEMBL9506722

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
TTR P02766 1/20 0.66
PPOX P50336 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
FFAR1 O14842 5/20 0.58
MRGPRX4 Q96LA9 10/20 0.55
STK39 Q9UEW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8378139 0.90 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11243867 0.90 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9503961 0.89 MEN1 (0.56) MEN1TTRPPOXKMT2ATDP1
SCHEMBL6290662 0.87 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9504837 0.86 MRGPRX4 (0.54) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10661473 0.85 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11116540 0.85 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL32669004 0.84 FFAR1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10615136 0.84 FFAR1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9796493 0.84 MEN1 (0.68) MEN1TTRPPOXKMT2ATDP1

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