SCHEMBL7550860

SCHEMBL7550860

CNc1cc(C)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 2/20 0.36
PDE2A O00408 1/20 0.36
LMNA P02545 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CRACR2A Q9BSW2 3/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 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
SCHEMBL7555049 0.86 STAT3 (0.40) DHODHPDE2AKDM4CNAALAD2ALDH1A1
SCHEMBL7559110 0.86 DHODH (0.38) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7550772 0.86 DHODH (0.38) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7550411 0.84 DHODH (0.52) DHODHLMNAKDM4CCRACR2ANPSR1
SCHEMBL7556688 0.82 DHODH (0.54) DHODHPDE2AKDM4CEPHX2
SCHEMBL27513121 0.79 DHODH (0.46) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL677644 0.79 DHODH (0.36) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL8489087 0.78 HTT (0.41) DHODHPDE2ALMNAALDH1A1HTT
SCHEMBL7556193 0.77 DHODH (0.35) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7572102 0.76 DHODH (0.37) DHODHTAS1R3TAS1R1TAS1R2PDE2A

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 8 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
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN 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