SCHEMBL7554528

SCHEMBL7554528

O=C(CC(=O)C1CC1)c1ccc(Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
NPC1 O15118 5/20 0.43
ERCC5 P28715 2/20 0.42
FEN1 P39748 2/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL8488611 0.84 ERCC5 (0.59) NPC1ERCC5FEN1SMN1; SMN2HPGD
SCHEMBL8488889 0.78 KDM4E (0.44) FLT1FLT4KDRERCC5FEN1
SCHEMBL6748543 0.78 ERCC5 (0.39) FLT1FLT4KDRNPC1ERCC5
SCHEMBL8492085 0.77 F10 (0.41) FLT1FLT4KDRNPC1ERCC5
SCHEMBL2870299 0.77 ALDH1A1 (0.49) FLT1FLT4KDRERCC5FEN1
SCHEMBL29444021 0.77 ALDH1A1 (0.49) FLT1FLT4KDRERCC5FEN1
SCHEMBL30702134 0.75 GSK3B (0.52) FLT1FLT4KDRNPC1ERCC5
SCHEMBL7779200 0.75 GSK3B (0.52) FLT1FLT4KDRNPC1ERCC5
SCHEMBL24252922 0.75 NPC1 (0.42) NPC1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL30452340 0.75 NPC1 (0.42) NPC1KMT2AMEN1SMN1; SMN2LMNA

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