SCHEMBL9505794

SCHEMBL9505794

COC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
STK39 Q9UEW8 1/20 0.47
SCN8A Q9UQD0 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
AVPR2 P30518 2/20 0.47
GPR27 Q9NS67 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
PNLIP P16233 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL9507497 0.88 FFAR1 (0.48) FFAR1STK39SCN8ASCN10AMRGPRX4
SCHEMBL9507544 0.88 MEN1 (0.55) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL9507539 0.86 FFAR1 (0.48) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL9503643 0.85 FFAR1 (0.46) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL11442480 0.84 FFAR1 (0.52) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL11258317 0.84 FFAR1 (0.54) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL9503642 0.83 FFAR1 (0.48) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL9507500 0.83 FFAR1 (0.45) FFAR1STK39SCN8ASCN10AMRGPRX4
SCHEMBL11436042 0.81 FFAR1 (0.49) FFAR1SCN8ASCN10AMRGPRX4MAPT
SCHEMBL11440764 0.81 FFAR1 (0.49) FFAR1SCN8ASCN10AMRGPRX4MAPT

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