SCHEMBL12289802

SCHEMBL12289802

CC1(C)OB(c2cc3ccc4c(c3s2)=CCCC=4)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL793571 0.81 LPL (0.40) P2RX7LPLLIPG
SCHEMBL26057540 0.73 LPL (0.35) LPLLIPG
SCHEMBL12162021 0.71 LPL (0.34) LPLLIPG
SCHEMBL12288855 0.71 LPL (0.43) LPLLIPG
SCHEMBL20295197 0.69 LPL (0.32) LPLLIPG
SCHEMBL119228 0.67 LPL (0.44) LPLLIPG
SCHEMBL1830220 0.67 LPL (0.35) P2RX7LPLLIPG
SCHEMBL12781871 0.66 LPL (0.40) P2RX7LPLLIPG
SCHEMBL10053904 0.66 LPL (0.32) P2RX7LPLLIPG
SCHEMBL13721705 0.66 MAPK1 (0.34) P2RX7LPLLIPG

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
WO-2011132623-A1 NOVEL NAPHTHOTHIOPHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-27 WO disclosed