SCHEMBL6181189

SCHEMBL6181189

CS(=O)(=O)c1c(C(=O)c2cnoc2C2CC2)ccc2c1OCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
DHODH Q02127 3/20 0.33
PDE2A O00408 1/20 0.33
MAOB P27338 1/20 0.33
PTGS2 P35354 2/20 0.31
AOC3 Q16853 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RGS12 O14924 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6187091 0.91 DHODH (0.33) SMN1; SMN2TP53DHODHPDE2APTGS2
SCHEMBL6180670 0.84 AOC3 (0.36) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL6182249 0.84 DHODH (0.34) DHODHPDE2ASMYD3
SCHEMBL6179992 0.84 NPC1 (0.37) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL6182422 0.81 RAB9A (0.35) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL7924451 0.80 DHODH (0.34) NPC1DHODHPDE2ALMNAKMT2A
SCHEMBL8491101 0.80 DHODH (0.37) DHODHPDE2AMAPK1
SCHEMBL6182121 0.79 PDE2A (0.35) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL9242247 0.79 TAS2R8 (0.38) NPC1RAB9ASMN1; SMN2TP53DHODH
SCHEMBL8488330 0.79 PDE2A (0.36) NPC1RAB9ASMN1; SMN2DHODHPDE2A

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 9 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
WO-1995025099-A1 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-09-21 WO disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed