SCHEMBL9759322

SCHEMBL9759322

COC(=O)C(C)OCCNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.48
HTR2A P28223 3/20 0.43
SLC6A4 P31645 3/20 0.43
KCNH2 Q12809 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAPK1 P28482 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39

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
SCHEMBL9759844 0.90 FFAR1 (0.47) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL10615739 0.89 FFAR1 (0.43) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL9759403 0.89 MEN1 (0.55) FFAR1TDP1MEN1TTRPPOX
SCHEMBL11442480 0.80 FFAR1 (0.52) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL9759980 0.80 MEN1 (0.55) FFAR1TDP1MEN1TTRPPOX
SCHEMBL11258317 0.80 FFAR1 (0.54) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL9759234 0.79 MEN1 (0.56) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL9827074 0.79 FFAR1 (0.53) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL732095 0.78 FFAR1 (0.58) FFAR1HTR2ASLC6A4KCNH2TDP1
SCHEMBL9839768 0.77 TDP1 (0.51) FFAR1HTR2ASLC6A4KCNH2TDP1

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