SCHEMBL9517635

SCHEMBL9517635

CCC1CCCCN1CCC[Si](OC)(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9520234 0.81 CYP1A2 (0.46) HSD17B10CYP2D6CYP1A2TSHR
SCHEMBL2118732 0.78 HSD17B10 (0.47) MAPK1HSD17B10SMN1; SMN2GAAS1PR1
SCHEMBL10220860 0.78 S1PR1 (0.51) MAPK1HSD17B10SMN1; SMN2CYP3A4CYP2D6
SCHEMBL9516175 0.77 CYP1A2 (0.32) CYP2D6CYP1A2TSHR
SCHEMBL7708216 0.76 S1PR1 (0.39) MAPK1HSD17B10ALDH1A1CRHBPCRHR2
SCHEMBL23828673 0.75 S1PR1 (0.46) MAPK1HSD17B10S1PR1S1PR3S1PR5
SCHEMBL23828675 0.75 S1PR1 (0.50) MAPK1HSD17B10SMN1; SMN2S1PR1S1PR3
SCHEMBL21777969 0.75 HSD17B10 (0.47) MAPK1HSD17B10ALDH1A1CRHBPCRHR2
SCHEMBL3324410 0.75 HSD17B10 (0.47) MAPK1HSD17B10ALDH1A1CRHBPCRHR2
Fluoride SCHEMBL29252712 0.75 S1PR1 (0.52) MAPK1HSD17B10SMN1; SMN2S1PR1S1PR3

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