SCHEMBL6183154

SCHEMBL6183154

COc1csc2ccc(C(=O)CC(=O)C3CC3)c(OC)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
STK17B O94768 1/20 0.35
PDE4D Q08499 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
PDE4B Q07343 1/20 0.31
SYK P43405 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7469703 0.87 MTNR1A (0.36) MTNR1AMTNR1BSTK17BALDH1A1MAPT
SCHEMBL9237893 0.78 MAPT (0.34) PDE4DALDH1A1MAPTTSHRHSD17B10
SCHEMBL7472213 0.76 MAPT (0.35) MTNR1AMTNR1BSTK17BALDH1A1MAPT
SCHEMBL7465160 0.75 MAPT (0.33) MTNR1AMTNR1BALDH1A1MAPTKMT2A
SCHEMBL6184513 0.74 STK17B (0.32) MTNR1AMTNR1BSTK17BMAPTKMT2A
SCHEMBL6184518 0.74 STK17B (0.32) MTNR1AMTNR1BSTK17BMAPTKMT2A
SCHEMBL9239772 0.73 KDM4E (0.35) MTNR1AMTNR1BALDH1A1MAPTHSD17B10
SCHEMBL7466991 0.72 DYRK1A (0.32) PDE4DALDH1A1MAPTKMT2AKDM4E
SCHEMBL7464239 0.69 DHODH (0.32) MTNR1AMTNR1BSTK17BPDE4DALDH1A1
SCHEMBL8388765 0.68 PDE4D (0.36) PDE4DALDH1A1MAPTHSD17B10KMT2A

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 5 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-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