SCHEMBL9759682

SCHEMBL9759682

COC(=O)COCC(C)Nc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
AR P10275 2/20 0.40
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLA2G7 Q13093 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
SCHEMBL9759883 0.91 FFAR1 (0.43) FFAR1ARMEN1TTRPPOX
SCHEMBL9759492 0.84 MEN1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9759372 0.76 MEN1 (0.56) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9758971 0.76 MEN1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9572413 0.75 FFAR1 (0.47) FFAR1ARMEN1TTRPPOX
SCHEMBL10606203 0.74 FFAR1 (0.46) FFAR1ARMEN1TTRPPOX
SCHEMBL10692331 0.73 MRGPRX4 (0.56) FFAR1MRGPRX4
SCHEMBL10453495 0.73 MEN1 (0.59) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9572456 0.73 FFAR1 (0.47) FFAR1ARMEN1TTRPPOX
SCHEMBL9572438 0.72 FFAR1 (0.53) FFAR1ARMEN1TTRPPOX

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
US-5028732-A Herbicidally active amino diphenyl ethers ROHM AND HAAS COMPANY (US) 1991-07-02 US disclosed
EP-0130041-B1 NOVEL HERBICIDAL SUBSTITUTED PYRIDYL PHENYL AND DIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1988-01-13 EP disclosed
EP-0130041-A1 Novel herbicidal substituted pyridyl phenyl and diphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1985-01-02 EP disclosed