SCHEMBL6150107

SCHEMBL6150107

COc1cc(N)c(C(=O)c2c(Cl)cccc2Cl)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
GAA P10253 2/20 0.49
LMNA P02545 3/20 0.47
RORC P51449 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.43
CXCL12 P48061 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL3821131 0.84 LMNA (0.64) KDM4EGAALMNACES2CES1
SCHEMBL6150594 0.84 CES2 (0.48) KDM4EGAALMNARORCCES2
SCHEMBL2605631 0.81 KDM4E (0.71) KDM4EGAALMNAALDH1A1HTT
SCHEMBL6307594 0.79 CES2 (0.46) KDM4EGAALMNARORCCES2
SCHEMBL6149592 0.79 LMNA (0.76) KDM4EGAALMNANPC1ALDH1A1
SCHEMBL2394192 0.78 POLB (0.60) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL6150742 0.78 CYP1A2 (0.68) GAALMNACES2CES1ALDH1A1
SCHEMBL6150910 0.77 RORC (0.42) KDM4EGAALMNARORCCES2
SCHEMBL6150757 0.77 RORC (0.42) KDM4EGAALMNARORCCES2
SCHEMBL3822798 0.77 RECQL (0.56) KDM4EGAALMNACES2CES1

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-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
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP disclosed