SCHEMBL8021472

SCHEMBL8021472

CCC(=O)c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
GAA P10253 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8022488 0.99 HTT (0.43) HTTL3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL6549825 0.98 HTT (0.43) HTTL3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL6548648 0.88 L3MBTL1 (0.55) HTTL3MBTL1SMN1; SMN2MAPTHRH3
SCHEMBL6549311 0.88 L3MBTL1 (0.50) HTTL3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL6549409 0.87 GAA (0.56) HTTL3MBTL1SMN1; SMN2MAPTHRH3
SCHEMBL8894549 0.87 TP53 (0.47) HTTL3MBTL1TP53TSHR
SCHEMBL3969509 0.87 HTT (0.42) HTTL3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL8022565 0.87 HTT (0.52) HTTL3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL8897462 0.86 TP53 (0.49) HTTL3MBTL1TP53TSHR
SCHEMBL6547877 0.86 L3MBTL1 (0.51) HTTL3MBTL1SMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975586-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION Sumitomo Chemical Company, Limited (JP) 2000-02-02 EP claimed
WO-1998045254-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-15 WO claimed