SCHEMBL7557951

SCHEMBL7557951

CCOc1c(Br)ccc(C(=O)O)c1N(CC)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ACLY P53396 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
POLB P06746 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
SCHEMBL7552047 0.88 HSD17B10 (0.39) HSD17B10TSHRKMT2AMEN1MAPT
SCHEMBL7559544 0.88 MEN1 (0.42) HSD17B10TSHRKMT2AMEN1MAPT
SCHEMBL7555575 0.87 LMNA (0.32) HSD17B10TSHRMAPTLMNAALDH1A1
SCHEMBL7552015 0.82 HSD17B10 (0.36) HSD17B10TSHRKMT2ALMNAALDH1A1
SCHEMBL7556733 0.78 MEN1 (0.43) HSD17B10TSHRKMT2AMEN1MAPT
SCHEMBL7553645 0.77 MAPT (0.37) HSD17B10TSHRKMT2AMEN1MAPT
SCHEMBL7557820 0.77 HSD17B10 (0.40) HSD17B10TSHRTHRBKMT2AMEN1
SCHEMBL7550792 0.74 KMT2A (0.37) HSD17B10TSHRTHRBKMT2AMEN1
SCHEMBL7550971 0.74 HSD17B10 (0.51) HSD17B10TSHRTHRBKMT2AMEN1
SCHEMBL8579773 0.74 MMP1 (0.31) KMT2AMEN1MAPTLMNAMMP1

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