SCHEMBL9504832

SCHEMBL9504832

CCCCOC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FFAR1 O14842 5/20 0.49
PPARD Q03181 4/20 0.45
PPARA Q07869 3/20 0.45
MRGPRX4 Q96LA9 4/20 0.43
PPARG P37231 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9503637 0.92 MEN1 (0.53) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9507509 0.91 FFAR1 (0.46) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9504842 0.90 MEN1 (0.53) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9503682 0.88 FFAR1 (0.51) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9507544 0.88 MEN1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10344713 0.87 FFAR1 (0.55) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9507486 0.86 MEN1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9828634 0.86 FFAR1 (0.46) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10646337 0.86 FFAR1 (0.49) MEN1TTRPPOXKMT2ATDP1
SCHEMBL10643426 0.86 FFAR1 (0.49) 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