SCHEMBL7795824

SCHEMBL7795824

CO/C=C(/Oc1ccccc1C(=O)OCC(F)(F)F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 3/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
PTGS2 P35354 2/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7795827 1.00 SLC6A3 (0.42) SLC6A3KDM4ETSHRNPSR1TDP1
SCHEMBL7801875 0.89 SLC6A3 (0.41) SLC6A3KDM4ETSHRNPSR1TDP1
SCHEMBL7801876 0.89 SLC6A3 (0.41) SLC6A3KDM4ETSHRNPSR1TDP1
SCHEMBL7803883 0.84 KMT2A (0.37) KDM4ENPSR1KMT2AMEN1CYP1A2
SCHEMBL7801127 0.84 ALDH1A1 (0.49) SLC6A3KDM4ETSHRNPSR1TDP1
SCHEMBL7801131 0.84 ALDH1A1 (0.49) SLC6A3KDM4ETSHRNPSR1TDP1
SCHEMBL7801800 0.83 LMNA (0.38) TDP1L3MBTL1KMT2AMEN1HTT
SCHEMBL7801797 0.83 LMNA (0.38) TDP1L3MBTL1KMT2AMEN1HTT
SCHEMBL7802542 0.83 TSHR (0.56) SLC6A3KDM4ETSHRTDP1L3MBTL1
SCHEMBL7804521 0.83 NPC1 (0.54) SLC6A3KDM4ETSHRNPSR1KMT2A

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-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed