SCHEMBL6149583

SCHEMBL6149583

COc1cc(C)c(C(=O)c2c(C)c(C)cc(C)c2C)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 1/20 0.38
TUBB4A P04350 1/20 0.38

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 0.91 ACHE (0.45) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL12998810 0.87 PTPN1 (0.41) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL6739738 0.83 ALDH1A1 (0.40) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL7519964 0.82 KRAS (0.47) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL6750283 0.81 PTPN1 (0.42) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL675835 0.81 POLB (0.37) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL6308161 0.80 KRAS (0.46) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL5610704 0.80 ALDH1A1 (0.44) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL674643 0.80 HPGD (0.36) CYP3A4POLBMAPTHPGDKMT2A
SCHEMBL6699530 0.80 PTPN1 (0.47) MAPTHPGDKMT2APTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727141-B1 Fungicidal methods, compounds and compositions containing benzophenones BASF AG (DE) 2005-11-02 EP claimed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP claimed
JP-8277243-A None JP disclosed
EP-0727141-B1 Fungicidal methods, compounds and compositions containing benzophenones BASF AG (DE) 2005-11-02 EP disclosed
US-5922919-A Fungicidal methods, compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
US-5866722-A Fungicidal methods compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-02-02 US disclosed
US-5773663-A FOR CONTROL OF PHYTOPATHOGENIC FUNGI IN CROPS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5679866-A CONTROLLING POWDERY MELDEW DISEASES AMERICAN CYANAMID COMPANY (US) 1997-10-21 US disclosed
JP-H08277243-A BACTERICIDAL AND FUNGICIDAL METHODS, COMPOUND AND COMPOSITION CONTAINING BENZOPHENONE AMERICAN CYANAMID CO 1996-10-22 JP disclosed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP disclosed