SCHEMBL6187091

SCHEMBL6187091

CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc2c1OCCO2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
ACACB O00763 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
SMYD3 Q9H7B4 3/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDE2A O00408 1/20 0.32
LMNA P02545 3/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HTT P42858 2/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
NAMPT P43490 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
SCHEMBL6181189 0.91 NPC1 (0.35) DHODHSMYD3SMN1; SMN2PDE2ALMNA
SCHEMBL6182249 0.84 DHODH (0.34) DHODHSMYD3PDE2ANAMPT
SCHEMBL6183081 0.81 DHODH (0.34) DHODHACACBSMN1; SMN2PDE2AMAPT
SCHEMBL7924451 0.80 DHODH (0.34) DHODHSMYD3GAAPDE2ALMNA
SCHEMBL8491101 0.80 DHODH (0.37) DHODHPDE2ANAMPT
SCHEMBL6182710 0.79 PDE2A (0.33) DHODHACACBPDE2ALMNAPKM
SCHEMBL9115094 0.79 DHODH (0.34) DHODHSMYD3GAAPDE2ALMNA
SCHEMBL8488330 0.79 PDE2A (0.36) DHODHSMN1; SMN2PDE2ALMNAMAPT
SCHEMBL8494964 0.78 DHODH (0.33) DHODHSMYD3PDE2ANAMPT
SCHEMBL9116308 0.78 DHODH (0.33) DHODHSMYD3PDE2ALMNANAMPT

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
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
CN-1039904-C Herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 CN disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
CN-1104212-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-28 CN disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed