SCHEMBL7554533

SCHEMBL7554533

CCCOC(=O)N(CC)c1c(C(=O)CC(=O)C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.32
SLC6A3 Q01959 2/20 0.31
ATM Q13315 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
SCHEMBL7552036 0.94 ALDH1A1 (0.34) SLC6A2SLC6A4ALDH1A1MAPTTP53
SCHEMBL7550331 0.91 SLC6A4 (0.39) SLC6A2SLC6A4ALDH1A1MAPTTP53
SCHEMBL7557956 0.89 SLC6A4 (0.35) SLC6A2SLC6A4ALDH1A1MAPTTP53
SCHEMBL7553022 0.85 SLC6A2 (0.33) SLC6A2SLC6A4TP53CYP3A4SLC6A3
SCHEMBL7555545 0.83 SLC6A2 (0.35) SLC6A2SLC6A4CYP3A4SLC6A3
SCHEMBL7637244 0.81 CYP3A4 (0.39) ALDH1A1CYP3A4
SCHEMBL7552028 0.81 TP53 (0.36) SLC6A2SLC6A4ALDH1A1MAPTTP53
SCHEMBL7557892 0.79 SLC6A4 (0.39) SLC6A2SLC6A4ALDH1A1MAPTCYP3A4
SCHEMBL7551788 0.78 CYP4F2 (0.41) SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL7553419 0.78 SLC6A4 (0.36) SLC6A2SLC6A4MAPTSLC6A3ATM

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-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP 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