SCHEMBL7552028

SCHEMBL7552028

CCCOC(=O)N(CC)c1c(C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.34
HTR2C P28335 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.32
CLCN2 P51788 1/20 0.32
SLC6A2 P23975 2/20 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
SCHEMBL7557094 0.92 KMT2A (0.41) TP53ALDH1A1CYP3A4LMNATSHR
SCHEMBL7552702 0.89 SLC6A2 (0.38) TP53ALDH1A1CYP3A4LMNATSHR
SCHEMBL7551788 0.87 CYP4F2 (0.41) ALDH1A1LMNATSHRCHRM2CHRM3
SCHEMBL7552802 0.85 TP53 (0.38) TP53ALDH1A1CYP3A4LMNATSHR
SCHEMBL7553749 0.82 TP53 (0.36) TP53ALDH1A1CYP3A4LMNATSHR
SCHEMBL8915127 0.81 ALDH1A1 (0.32) TP53ALDH1A1LMNATSHRKMT2A
SCHEMBL7554533 0.81 SLC6A2 (0.33) TP53ALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL7555025 0.80 TSHR (0.43) TP53ALDH1A1CYP3A4LMNATSHR
SCHEMBL7552749 0.78 CYP4F2 (0.45) ALDH1A1LMNATSHRCHRM2CHRM3
SCHEMBL7554657 0.77 CLCN2 (0.35) TP53ALDH1A1CYP3A4LMNATSHR

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
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US 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
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