SCHEMBL9759897

SCHEMBL9759897

CCC(=O)OOCCNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDR P35968 1/20 0.36
STK39 Q9UEW8 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
SCHEMBL9759806 0.81 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11128496 0.75 MEN1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8917682 0.74 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9759322 0.72 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11848309 0.72 TDP1 (0.55) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9759844 0.72 FFAR1 (0.47) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9759562 0.71 MEN1 (0.57) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11441676 0.71 FFAR1 (0.52) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9796491 0.70 MEN1 (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9796493 0.70 MEN1 (0.68) FFAR1MEN1TTRPPOXKMT2A

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