SCHEMBL7552255

SCHEMBL7552255

CCOC=C(C(=O)c1cccc(Cl)c1N(CC)S(C)(=O)=O)C(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 3/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL7552251 1.00 TSHR (0.36) TSHRSLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL7553853 0.87 POLB (0.33) TSHRMAPK1LMNAPOLBTP53
SCHEMBL7553855 0.87 POLB (0.33) TSHRMAPK1LMNAPOLBTP53
SCHEMBL7554588 0.85 ALDH1A1 (0.36) TSHRMAPK1LMNAALDH1A1
SCHEMBL7554590 0.85 ALDH1A1 (0.36) TSHRMAPK1LMNAALDH1A1
SCHEMBL7558086 0.84
SCHEMBL7558079 0.84
SCHEMBL7558183 0.83 POLB (0.30) POLBMCOLN3
SCHEMBL7558186 0.83 POLB (0.30) POLBMCOLN3
SCHEMBL7553461 0.83

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 6 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-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