SCHEMBL7806149

SCHEMBL7806149

CO/C=C(/Oc1ccc(I)cc1C(=O)O)C(=O)OC.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
PTPRE P23469 1/20 0.38
PTPN6 P29350 1/20 0.38
APP P05067 1/20 0.37
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
AR P10275 1/20 0.33
POLB P06746 2/20 0.33
CHEK1 O14757 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL7806156 1.00 CFD (0.39) CFDPTPRCPTPN2PTPN1PTPRA
SCHEMBL7795789 0.99 CFD (0.40) CFDPTPRCPTPN2PTPN1PTPRA
SCHEMBL7795791 0.99 CFD (0.40) CFDPTPRCPTPN2PTPN1PTPRA
SCHEMBL7806153 0.87 AR (0.33) AR
SCHEMBL7801833 0.85 POLB (0.44) CFDKDM4EHPGDHSD17B10MAPT
SCHEMBL7801834 0.85 POLB (0.44) CFDKDM4EHPGDHSD17B10MAPT
SCHEMBL7801757 0.84 CSNK2A1 (0.41) CFDAPPKDM4EHPGDHSD17B10
SCHEMBL7801759 0.84 CSNK2A1 (0.41) CFDAPPKDM4EHPGDHSD17B10
SCHEMBL7801788 0.83 POLB (0.51) KDM4EHPGDMAPTALDH1A1POLB
SCHEMBL7802483 0.83 KDM4E (0.40) CFDKDM4EHPGDHSD17B10MAPT

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