SCHEMBL7557752

SCHEMBL7557752

CCOC(=O)c1ccc(F)cc1N(CC)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL7550423 0.84 LMNA (0.45) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7558430 0.84 MCOLN3 (0.51) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7550378 0.84 MAPT (0.56) HSD17B10ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL7554663 0.83 LMNA (0.44) TSHRHSD17B10ALDH1A1MEN1MAPK1
SCHEMBL7557970 0.76 TSHR (0.41) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL4628672 0.75 TSHR (0.60) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7557028 0.74 MAPT (0.43) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7554583 0.74 ALDH1A1 (0.40) TSHRHSD17B10ALDH1A1CA12CA1
SCHEMBL7551756 0.74 L3MBTL1 (0.37) TSHRALDH1A1MAPK1KMT2APOLB
SCHEMBL5247862 0.74 TSHR (0.57) TSHRHSD17B10ALDH1A1CA12CA1

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