SCHEMBL7464239

SCHEMBL7464239

COc1csc2ccc(C(=O)c3cnoc3C3CC3)c(OC)c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
STAT3 P40763 2/20 0.32
ALDH1A1 P00352 3/20 0.32
STAT1 P42224 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KMT2A Q03164 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
STK17B O94768 1/20 0.31
SYK P43405 1/20 0.30
IRAK1 P51617 1/20 0.30

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
SCHEMBL7462608 0.89 STAT3 (0.35) DHODHNPC1HTTRAB9ASMN1; SMN2
SCHEMBL7467864 0.78 HCRTR2 (0.33) DHODHPDE2ANR1H4
SCHEMBL7469350 0.78 DHODH (0.31) DHODHNPC1RAB9APDE2A
SCHEMBL7469191 0.77 HCRTR2 (0.32) DHODHPDE2A
SCHEMBL9116932 0.76 DHODH (0.35) DHODHHPGDKDM4ESTAT3ALDH1A1
SCHEMBL9114740 0.74 DHODH (0.36) DHODHSMN1; SMN2HPGDKDM4EMEN1
SCHEMBL8493697 0.73 DHODH (0.35) DHODHHSD17B10HPGDKDM4ESTAT3
SCHEMBL8491895 0.73 STAT1 (0.36) DHODHHTTRAB9ASMN1; SMN2HSD17B10
SCHEMBL8494915 0.73 HPGD (0.49) NPC1HTTRAB9ASMN1; SMN2HSD17B10
SCHEMBL9116703 0.73 STAT1 (0.36) DHODHHTTKDM4ESTAT1MEN1

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-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP claimed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US claimed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP claimed
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed