SCHEMBL6549758

SCHEMBL6549758

ON=C(c1ccccc1)c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.35
HTT P42858 2/20 0.34
S1PR3 Q99500 1/20 0.34
GAA P10253 3/20 0.33
DRD3 P35462 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 2/20 0.32

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
SCHEMBL6548509 0.99 MAPT (0.42) MAPTPOLBHPGDXBP1PPARA
SCHEMBL6548606 0.98 MAPT (0.43) MAPTPOLBHPGDXBP1PPARA
SCHEMBL8022439 0.87 PPARA (0.51) MAPTPPARAPPARGHTTGAA
SCHEMBL6548348 0.85 ALDH1A1 (0.36) MAPTPPARAPPARGHTTS1PR3
SCHEMBL6548880 0.84 HTT (0.41) MAPTPOLBHTTGAALMNA
SCHEMBL6547658 0.84 PPARA (0.48) MAPTPPARAPPARGHTTGAA
SCHEMBL3185519 0.84 HTT (0.37) MAPTHTTGAALMNARAB9A
SCHEMBL3185522 0.84 HTT (0.37) MAPTHTTGAALMNARAB9A
SCHEMBL8408702 0.84 KCNA3 (0.41) MAPTHPGDHTTDRD3RAB9A
SCHEMBL6547457 0.83 HTT (0.40) MAPTPOLBHTTGAADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975586-B1 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed