SCHEMBL7554657

SCHEMBL7554657

CCCN(C(=O)OC)c1c(C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
NCEH1 Q6PIU2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APEX1 P27695 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 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
SCHEMBL7552802 0.89 TP53 (0.38) CLCN2SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL7553053 0.85 KMT2A (0.43) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7556167 0.82 TSHR (0.36) CLCN2CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL7555545 0.81 SLC6A2 (0.35) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7558764 0.79 TSHR (0.40) CLCN2SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL7552249 0.78 CYP3A4 (0.38) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7552028 0.77 TP53 (0.36) CLCN2SMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL7552702 0.77 SLC6A2 (0.38) CLCN2SMN1; SMN2KMT2ACYP3A4HTT
SCHEMBL7557094 0.75 KMT2A (0.41) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL9004962 0.75 LMNA (0.34) KMT2AMEN1TSHRALDH1A1KDM4E

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 5 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-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