SCHEMBL7552015

SCHEMBL7552015

CCN(c1c(C(=O)O)ccc(Br)c1Br)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
NSD2 O96028 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CA12 O43570 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
SCHEMBL7552047 0.83 HSD17B10 (0.39) HSD17B10LMNAALDH1A1ALOX15MCL1
SCHEMBL7557951 0.82 HSD17B10 (0.40) HSD17B10LMNAALDH1A1TSHRKMT2A
SCHEMBL7551946 0.79 KMT2A (0.32) LMNATSHRKMT2AMMP2MMP9
SCHEMBL7555575 0.78 LMNA (0.32) HSD17B10LMNAALDH1A1TSHRPOLB
SCHEMBL7550720 0.77 LMNA (0.47) HSD17B10LMNAALDH1A1HPGDALOX15
SCHEMBL7638566 0.77 LMNA (0.42) HSD17B10LMNAALDH1A1TSHRKMT2A
SCHEMBL7552814 0.74 LMNA (0.40) HSD17B10LMNAALDH1A1KMT2APOLB
SCHEMBL7554512 0.73 MAPK1 (0.45) HSD17B10LMNAESR1ALDH1A1HPGD
SCHEMBL7552040 0.73 SMYD3 (0.32)
SCHEMBL7553433 0.72 ALDH1A1 (0.37) HSD17B10LMNAALDH1A1KMT2ASMN1; SMN2

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