SCHEMBL7553085

SCHEMBL7553085

CC(C)OC(=O)Nc1c(C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
AGPAT2 O15120 1/20 0.38
TSHR P16473 1/20 0.38
CLCN2 P51788 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOA P21397 1/20 0.37
KCNJ11 Q14654 1/20 0.37

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
SCHEMBL7558175 0.84 CLCN2 (0.43) SMN1; SMN2KDM4ETSHRCLCN2ALDH1A1
SCHEMBL7550444 0.79 NLRP3 (0.49) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL8578051 0.78 KDM4E (0.47) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL7552487 0.77 MAPK1 (0.44) HPGDSMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL27344589 0.77 HPGD (0.58) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL7554895 0.75 SMN1; SMN2 (0.51) HPGDSMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL4173469 0.71 MAPT (0.49) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL2919282 0.71 HPGD (0.55) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL8489434 0.71 CA12 (0.46) SMN1; SMN2LMNAKDM4ETSHRALDH1A1
SCHEMBL29293878 0.71 KDM4E (0.63) HPGDALOX15RAB9AKDM4EALDH1A1

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