SCHEMBL6180670

SCHEMBL6180670

CS(=O)(=O)Cc1c(C(=O)c2cnoc2C2CC2)ccc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.36
DHODH Q02127 3/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
DRD3 P35462 3/20 0.33
PDE2A O00408 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 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
SCHEMBL6182206 0.84 DHODH (0.32) DHODH
SCHEMBL6181189 0.84 NPC1 (0.35) AOC3DHODHRAB9ANPC1TP53
SCHEMBL6179992 0.81 NPC1 (0.37) AOC3DHODHRAB9ANPC1TP53
SCHEMBL7575598 0.81 DHODH (0.33) DHODHPDE2AMEN1KMT2A
SCHEMBL9117026 0.81 DHODH (0.33) DHODHPDE2A
SCHEMBL7574755 0.80 DHODH (0.33) DHODHPDE2ACYP11B1CYP11B2
SCHEMBL7574569 0.79 DHODH (0.32) DHODHPDE2A
SCHEMBL7573255 0.79 DHODH (0.32) DHODHPDE2AMEN1KMT2A
SCHEMBL7577830 0.79 DHODH (0.32) DHODHPDE2AMEN1KMT2A
SCHEMBL7575354 0.79 DHODH (0.35) DHODHPDE2AMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP claimed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 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-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 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