SCHEMBL7558175

SCHEMBL7558175

COC(=O)Nc1c(C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 7/20 0.43
TSHR P16473 3/20 0.42
PDE4D Q08499 2/20 0.40
ALDH1A1 P00352 3/20 0.40
PDE4A P27815 2/20 0.39
MEN1 O00255 1/20 0.39
AKR1B10 O60218 1/20 0.39
ABCB11 O95342 1/20 0.39
TTR P02766 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
FABP2 P12104 1/20 0.39
RXRA P19793 1/20 0.39
TBXA2R P21731 1/20 0.39
NR4A1 P22736 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1C3 P42330 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL7550444 0.84 NLRP3 (0.49) CLCN2TSHRALDH1A1MAPK1KMT2A
SCHEMBL7553085 0.84 HPGD (0.44) CLCN2TSHRALDH1A1PDE4AMEN1
SCHEMBL8578051 0.83 KDM4E (0.47) CLCN2TSHRALDH1A1PDE4AMEN1
SCHEMBL7552487 0.82 MAPK1 (0.44) CLCN2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL7554895 0.80 SMN1; SMN2 (0.51) TSHRALDH1A1MEN1MAPK1KMT2A
SCHEMBL10033270 0.73 SMN1; SMN2 (0.50) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL2093283 0.72 NLRP3 (0.60) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL1893739 0.72 ALDH1A1 (0.56) CLCN2TSHRALDH1A1MEN1NR4A1
SCHEMBL31145465 0.71 MEN1 (0.51) CLCN2TSHRALDH1A1PDE4AMEN1
SCHEMBL22093062 0.71 MEN1 (0.51) CLCN2TSHRALDH1A1PDE4AMEN1

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