SCHEMBL9503961

SCHEMBL9503961

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
TTR P02766 1/20 0.56
PPOX P50336 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
FFAR1 O14842 5/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ESRRA P11474 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
STK39 Q9UEW8 2/20 0.47
PNLIP P16233 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL9506722 0.89 MEN1 (0.66) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9504837 0.88 MRGPRX4 (0.54) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10615136 0.83 FFAR1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL32669004 0.83 FFAR1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9505781 0.82 FFAR1 (0.49) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11309131 0.82 FFAR1 (0.62) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8378139 0.81 MEN1 (0.69) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11243867 0.81 MEN1 (0.72) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8376803 0.81 TDP1 (0.56) MEN1TTRPPOXKMT2ATDP1
SCHEMBL6752643 0.80 MEN1 (0.82) 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 2 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