SCHEMBL7000246

SCHEMBL7000246

COc1cccc(C)c1C1C(=O)NC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
NQO2 P16083 2/20 0.35
CYP19A1 P11511 1/20 0.35
AVPR1A P37288 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ELANE P08246 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4427953 0.84 CRHBP (0.40) ALDH1A1POLBCA12CA1CA2
SCHEMBL1814326 0.72 NPC1 (0.35) ALDH1A1GAAHPGDKMT2A
SCHEMBL11030508 0.72 DDB1 (0.44) ALDH1A1GAAKDM4E
SCHEMBL8648027 0.70 GRIN2D (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL4428111 0.69 HDAC4 (0.32) ALDH1A1POLBCYP2C9CYP2C19CA12
SCHEMBL4428134 0.69 CRHBP (0.37) ALDH1A1POLBHCRTR1HCRTR2
SCHEMBL3180158 0.68
SCHEMBL3183590 0.68
SCHEMBL11024284 0.66 LMNA (0.41) ALDH1A1CYP3A4CA2MEN1KMT2A
SCHEMBL342054 0.65 DDB1 (0.39) POLBHCRTR1HCRTR2

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-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed