SCHEMBL7555032

SCHEMBL7555032

CCN(C(=O)OC)c1c(C(=O)CC(=O)C2CC2)ccc(Br)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
MEN1 O00255 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
HIF1A Q16665 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL7552260 0.91 HTT (0.34) DRD3DRD2MEN1HTR1AADRA2A
SCHEMBL7553289 0.87 HTT (0.33) POLBHTT
SCHEMBL7557884 0.81 HSD17B10 (0.40) DRD3DRD2MEN1HTR1AADRA2A
SCHEMBL7552079 0.81 MAPT (0.36) DRD3DRD2MEN1HTR1AADRA2A
SCHEMBL7557956 0.80 SLC6A4 (0.35) DRD2TP53MAPTHTT
SCHEMBL7558216 0.78 MEN1 (0.31) DRD3DRD2MEN1HTR1AADRA2A
SCHEMBL7558222 0.78 MEN1 (0.31) DRD3DRD2MEN1HTR1AADRA2A
SCHEMBL7550405 0.74 STAT1 (0.33) DRD3DRD2MEN1HTR1AADRA2A
SCHEMBL7556623 0.72 KMT2A (0.35) KMT2AMAPTPOLBHTT
SCHEMBL7557820 0.72 HSD17B10 (0.40) DRD3MEN1KMT2AMAPTHTT

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