SCHEMBL8495682

SCHEMBL8495682

CCOC(=O)c1ccc(Br)c(OC)c1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
ALOX15 P16050 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA1 P00915 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 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
SCHEMBL8492762 0.86 MAPT (0.40) KMT2AMEN1MAPTALOX15USP2
SCHEMBL8492599 0.81 MAPT (0.52) KMT2AMEN1MAPTALOX15USP2
SCHEMBL18468249 0.81 MEN1 (0.52) KMT2AMEN1MAPTALOX15USP2
SCHEMBL8492263 0.81 HSD17B10 (0.46) MAPTALOX15TSHRKDM4EALDH1A1
SCHEMBL16108072 0.78 MEN1 (0.50) KMT2AMEN1MAPTALOX15USP2
SCHEMBL7556733 0.78 MEN1 (0.43) KMT2AMEN1MAPTALOX15USP2
SCHEMBL8489108 0.76 MEN1 (0.48) KMT2AMEN1MAPTALOX15USP2
SCHEMBL670404 0.75 TSHR (0.58) KMT2AMEN1MAPTALOX15USP2
SCHEMBL22852765 0.72 KDM4E (0.47) KMT2AMEN1MAPTTSHRNPSR1
SCHEMBL30294881 0.72 KDM4E (0.47) KMT2AMEN1MAPTTSHRNPSR1

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
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
EP-0560482-B1 4-Benzoyl isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-08-06 EP disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0560482-A1 4-Benzoyl isoxazoles derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP disclosed