SCHEMBL6552592

SCHEMBL6552592

CCOC(=O)C(C)(CC)OC(=O)c1cc(-n2c(=O)cc(C)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
OPRK1 P41145 1/20 0.32
GAA P10253 1/20 0.31
WDR5 P61964 1/20 0.31
MAPT P10636 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
PPOX P50336 2/20 0.31
GUSB P08236 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6553643 0.91 BAZ2B (0.38) BAZ2BBAZ2AGAAWDR5MAPT
SCHEMBL9351415 0.91 BAZ2B (0.33) BAZ2BBAZ2AGAAMAPTCYP1A2
SCHEMBL6553915 0.83 CYP1A2 (0.32) BAZ2BBAZ2AMAPTCYP1A2CYP2C9
SCHEMBL9350650 0.83 GAA (0.33) BAZ2BBAZ2AGAAMAPTCYP1A2
SCHEMBL7547124 0.82 CYP1A2 (0.33) BAZ2BBAZ2AGAAMAPTCYP1A2
SCHEMBL22745804 0.80 MAPT (0.36) BAZ2BBAZ2AGAAWDR5MAPT
SCHEMBL24151472 0.78 BAZ2B (0.36) BAZ2BBAZ2AGAAMAPTCYP1A2
SCHEMBL9499007 0.78 CYP1A2 (0.35) BAZ2BBAZ2AGAAMAPTCYP1A2
SCHEMBL9423183 0.78 ALDH1A1 (0.36) BAZ2BBAZ2AMAPTCYP1A2ALDH1A1
SCHEMBL9468954 0.77 MAPT (0.35) BAZ2BBAZ2AWDR5MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436680-B1 HETEROCYCLIC COMPOUNDS CIBA GEIGY AG (CH) 1994-09-07 EP claimed
EP-1206185-B1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2004-02-18 EP disclosed
EP-1206185-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS Aventis CropScience GmbH (DE) 2002-05-22 EP disclosed
WO-2001008487-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-02-08 WO disclosed
US-5183492-A Herbicides as enol ethers CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed