SCHEMBL7550407

SCHEMBL7550407

CCNc1cc(F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRL1 P41146 2/20 0.34
HPGD P15428 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PDE10A Q9Y233 2/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
CRACR2A Q9BSW2 2/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRNA7 P36544 1/20 0.33
RORC P51449 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL7550698 0.87 DHODH (0.49) DHODHRAB9ACYP11B1CYP11B2KDM4C
SCHEMBL7556208 0.86 STAT3 (0.38) DHODHMAPK1MKNK1MKNK2RAB9A
SCHEMBL7554510 0.85 JAK2 (0.40) DHODHMAPK1HPGDRAB9A
SCHEMBL7559194 0.84 NPC1 (0.36) DHODHMKNK1MKNK2MAPK14
SCHEMBL7556089 0.81 DHODH (0.38) DHODHPDE10AEPHX2CRACR2ACYP11B1
SCHEMBL9114529 0.80 CES2 (0.44) DHODHHPGDMAPK14
SCHEMBL7558174 0.79 DHODH (0.36) DHODHOPRL1HPGDCYP11B1CYP11B2
SCHEMBL7552722 0.79 POLB (0.39) DHODHRAB9ACHRNA7KDM4C
SCHEMBL8489371 0.78 HPGD (0.50) DHODHMAPK1HPGDRAB9A
SCHEMBL9115014 0.78 DHODH (0.44) DHODHHPGDEPHX2CRACR2ACHRNA7

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