SCHEMBL9504853

SCHEMBL9504853

CCOC(=O)CSC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE5A O76074 2/20 0.36
PDE6D O43924 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36

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
SCHEMBL9503670 0.92 MEN1 (0.47) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9503943 0.88 FFAR1 (0.48) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9507629 0.88 FFAR1 (0.43) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL11496856 0.87 FFAR1 (0.51) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL10642873 0.85 FFAR1 (0.46) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9507539 0.84 FFAR1 (0.48) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9503662 0.83 FFAR1 (0.48) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9507509 0.82 FFAR1 (0.46) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9505704 0.81 FFAR1 (0.49) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL9503648 0.80 FFAR1 (0.46) FFAR1MRGPRX4MEN1TTRPPOX

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