SCHEMBL2108648

SCHEMBL2108648

CCCCCC(C)(C)c1ccc(OCC(O)COC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PLA2G4B P0C869 2/20 0.45
▸ CNR2 P34972 7/20 0.42
▸ CNR1 P21554 5/20 0.42
▸ AR P10275 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ NR2E1 Q9Y466 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL7879429 0.85 LMNA (0.47) HTTHIF1ALMNAHSD17B10PLA2G4B
SCHEMBL2108647 0.81 SMN1; SMN2 (0.54) HTTHIF1ALMNAHSD17B10AR
SCHEMBL4071970 0.81 LMNA (0.44) HTTHIF1ALMNAHSD17B10PLA2G4B
SCHEMBL13190989 0.81 HTT (0.66) HTTHIF1ALMNAHSD17B10AR
SCHEMBL2108186 0.80 CNR2 (0.49) LMNAHSD17B10CNR2CNR1AR
SCHEMBL9636030 0.79 MAPK1 (0.55) HTTHIF1ALMNAHSD17B10CNR2
SCHEMBL7167448 0.79 HTT (0.43) HTTHIF1ALMNAHSD17B10PLA2G4B
SCHEMBL19677468 0.79 HTT (0.59) HTTHIF1ALMNAHSD17B10AR
SCHEMBL22043203 0.76 HTT (0.57) HTTHIF1ALMNAHSD17B10AR
SCHEMBL26461593 0.76 HTT (0.57) HTTHIF1ALMNAHSD17B10AR

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
US-8158088-B2 Extractant compositions for co-extracting cesium and strontium, a method of separating cesium and strontium from an aqueous feed, and calixarene compounds BATTELLE ENERGY ALLIANCE, LLC (US) 2012-04-17 — — US claimed
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