SCHEMBL6184438

SCHEMBL6184438

CN(C)C=C(C(=O)c1ccc2c(c1S(C)(=O)=O)OCO2)C(=O)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
PTGS2 P35354 1/20 0.30
ALOX15 P16050 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL6184434 1.00 MAOB (0.34) MAOBAOC3NPC1RAB9AMAPT
SCHEMBL6182438 0.85 AOC3 (0.37) MAOBAOC3NPC1RAB9AMTNR1A
SCHEMBL6182434 0.85 AOC3 (0.37) MAOBAOC3NPC1RAB9AMTNR1A
SCHEMBL6181756 0.84 AOC3 (0.34) AOC3NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6181759 0.84 AOC3 (0.34) AOC3NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9116742 0.82 AOC3 (0.33) MAOBAOC3NPC1RAB9AMAPT
SCHEMBL9116733 0.82 AOC3 (0.33) MAOBAOC3NPC1RAB9AMAPT
SCHEMBL9242392 0.81 ACVRL1 (0.36) MAOBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9242386 0.81 ACVRL1 (0.36) MAOBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6184460 0.73 MTNR1A (0.38) MAOBAOC3MAPTKDM4ESMN1; SMN2

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 4 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
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