SCHEMBL7558739

SCHEMBL7558739

COC(=O)N(c1c(C(=O)OC(C)C)ccc(Cl)c1Cl)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 3/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL7552522 0.85 TSHR (0.37) LMNAALDH1A1SLC6A2KDM4ESMN1; SMN2
SCHEMBL7552508 0.77 LMNA (0.39) CA12CA1CA2CA7CA9
SCHEMBL7552294 0.76 SLC6A4 (0.35) SLC6A2SLC6A3SLC6A4
SCHEMBL7555016 0.72 ABL1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7556608 0.70 DHODH (0.33) SLC6A2SLC6A4
SCHEMBL7554619 0.70 KMT2A (0.52) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL7553110 0.69 LMNA (0.41) CA12CA1CA2CA7CA9
SCHEMBL7557166 0.68 CYP4F2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL21676265 0.67 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL7638124 0.67 POLB (0.44) LMNAALDH1A1POLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed