SCHEMBL7801833

SCHEMBL7801833

CO/C=C(/Oc1ccc(Br)cc1C(=O)O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
CFD P00746 2/20 0.42
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GFER P55789 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL7801834 1.00 POLB (0.44) POLBMYCNR4A1CFDKDM4E
SCHEMBL7802593 0.90 HSD17B10 (0.50) POLBKDM4EPTGDR2ALDH1A1MAPT
SCHEMBL7802590 0.90 HSD17B10 (0.50) POLBKDM4EPTGDR2ALDH1A1MAPT
SCHEMBL7801759 0.87 CSNK2A1 (0.41) CFDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7801757 0.87 CSNK2A1 (0.41) CFDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7802483 0.86 KDM4E (0.40) POLBCFDKDM4EALDH1A1MAPT
SCHEMBL7801788 0.86 POLB (0.51) POLBKDM4EALDH1A1MAPTGFER
SCHEMBL7803835 0.86 POLB (0.51) POLBKDM4EALDH1A1MAPTGFER
SCHEMBL7795789 0.86 CFD (0.40) POLBCFDKDM4EALDH1A1MAPT
SCHEMBL7802480 0.86 KDM4E (0.40) POLBCFDKDM4EALDH1A1MAPT

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