SCHEMBL6750283

SCHEMBL6750283

COc1cc(C)c(C(=O)c2c(C)c(Br)cc(OC)c2OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
TNFRSF1A P19438 2/20 0.38
TUBB4A P04350 1/20 0.37

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
SCHEMBL27813524 0.86 ACHE (0.45) PTPN1HTTKMT2AHPGDMAPT
Metrafenone SCHEMBL29408434 0.86 ALDH1A1 (0.42) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
Metrafenone SCHEMBL20788 0.86 ALDH1A1 (0.42) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL6743725 0.86 PTPN1 (0.43) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
Metrafenone SCHEMBL30013482 0.86 ALDH1A1 (0.42) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL6699530 0.84 PTPN1 (0.47) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL3762760 0.83 MEN1 (0.39) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL6149583 0.81 CYP3A4 (0.46) PTPN1HTTKMT2AHPGDMAPT
SCHEMBL14386693 0.81 PTPN1 (0.37) PTPN1HTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL29419084 0.81 PTPN1 (0.37) PTPN1HTTTSHRAPOBEC3AAPOBEC3G

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933025-B1 Emulsifiable concentrate containing one or more pesticides BASF AG (DE) 2004-08-04 EP disclosed
US-6566308-B1 For crop protection active compounds BASF AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6444618-B1 NONAQUEOUS EMULSIFIABLE CONCENTRATE WHICH COMPRISES PESTICIDE, NONPOLAR ORGANIC SOLVENT, POLAR APROTIC COSOLVENT, EMULSIFYING SURFACTANT SYSTEM ENABLING OIL-IN-WATER EMULSION TO BE FORMED IN WATER, DEFOAMING AGENT BASF AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
EP-1025757-A1 Crop protection emulsifiable concentrate containing defoaming agents American Cyanamid Company (US) 2000-08-09 EP disclosed
EP-1023833-A2 Emulsifiable concentrate containing one or more pesticides and adjuvants American Cyanamid Company (US) 2000-08-02 EP disclosed
EP-0933025-A1 Emulsifiable concentrate containing one or more pesticides American Cyanamid Company (US) 1999-08-04 EP disclosed