SCHEMBL11213612

SCHEMBL11213612

CC(C)(Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.61
PPARA Q07869 13/20 0.56
PPARD Q03181 9/20 0.55
PPARG P37231 6/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TTR P02766 1/20 0.54
PPOX P50336 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
FABP2 P12104 1/20 0.47
SLC22A12 Q96S37 1/20 0.47

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
SCHEMBL15635194 0.89 FFAR1 (0.53) FFAR1PPARAPPARDPPARGMEN1
SCHEMBL11442482 0.89 FFAR1 (0.55) FFAR1PPARAPPARDPPARGMEN1
SCHEMBL7991384 0.86 PPARD (0.55) FFAR1PPARAPPARDPPARGCYP2C19
SCHEMBL11436050 0.86 FFAR1 (0.52) FFAR1PPARAPPARDPPARGMEN1
SCHEMBL11440770 0.86 FFAR1 (0.52) FFAR1PPARAPPARDPPARGMEN1
SCHEMBL987343 0.84 PPARA (0.67) FFAR1PPARAPPARDPPARGMEN1
SCHEMBL11435993 0.83 FFAR1 (0.49) FFAR1PPARAPPARDPPARGMEN1
SCHEMBL10386440 0.82 PPARA (0.60) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL11095176 0.82 FFAR1 (0.65) FFAR1MEN1KMT2ATTRPPOX
SCHEMBL10997932 0.81 FFAR1 (0.67) FFAR1MEN1KMT2ATTRPPOX

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-0065780-A2 Propion amides, preparation of these compounds, herbicidal compositions containing them as active ingredients, and use of these compounds and composition in the destruction of weeds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-12-01 EP disclosed
US-4070178-A Herbicidal diphenyl ethers ROHM AND HAAS COMPANY (US) 1978-01-24 US disclosed