SCHEMBL7554572

SCHEMBL7554572

COC(=O)N(C)c1cc(I)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
SYK P43405 2/20 0.33
EPHX2 P34913 2/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
PDE2A O00408 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL7556193 0.88 DHODH (0.35) DHODHSYKEPHX2LMNAGPBAR1
SCHEMBL7553047 0.87 STAT3 (0.36) DHODHSYKEPHX2POLBGPBAR1
SCHEMBL7550329 0.87 DHODH (0.35) DHODHSYKEPHX2POLBGPBAR1
SCHEMBL7557958 0.85 DHODH (0.47) DHODHEPHX2LMNAPOLBSMN1; SMN2
SCHEMBL7554620 0.84 DHODH (0.50) DHODHSYKEPHX2GPBAR1PDE2A
SCHEMBL7553192 0.82 L3MBTL1 (0.34) DHODHPDE2A
SCHEMBL7551995 0.78 DHODH (0.36) DHODHSYKEPHX2GPBAR1PDE2A
SCHEMBL7553925 0.78 DHODH (0.34) DHODHSYKEPHX2LMNAPOLB
SCHEMBL7559110 0.78 DHODH (0.38) DHODHEPHX2LMNAPOLBSMN1; SMN2
SCHEMBL7643223 0.76 ALDH1A1 (0.36) DHODHLMNASMN1; SMN2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US claimed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN claimed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP claimed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO claimed
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