SCHEMBL9516675

SCHEMBL9516675

C[Si](Cl)(Cl)CCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH1 P35367 1/20 0.38
MAPT P10636 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ACHE P22303 1/20 0.36
RAD52 P43351 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL9517507 0.82 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL16446525 0.82 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2MAPT
SCHEMBL434853 0.82 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2HRH1
SCHEMBL9520262 0.81 KEAP1 (0.52) HRH3CYP1A2MAPK1SMN1; SMN2SIGMAR1
SCHEMBL9518402 0.79 CXCR4 (0.47) CYP1A2SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL9516643 0.75 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2HRH1
SCHEMBL2852223 0.75 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2HRH1
SCHEMBL611596 0.75 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2HRH1
SCHEMBL2509146 0.74 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2HRH1
SCHEMBL29496667 0.74 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417755-B1 Packing for chromatography and its use for separating water soluble organic compounds DAISO CO LTD (JP) 1993-12-29 EP disclosed
US-5103000-A PACKING FOR CHROMATOGRAPHY AND METHOD FOR SEPARATING WATER SOLUBLE ORGANIC COMPOUNDS USING THE SAME DAISO CO., LTD. (JP) 1992-04-07 US disclosed
EP-0417755-A1 Packing for chromatography and its use for separating water soluble organic compounds DAISO CO., LTD. (JP) 1991-03-20 EP disclosed