SCHEMBL23682245

SCHEMBL23682245

CCC(C)C(c1cc(OC)c(OC)c(OC)c1)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.45
CYP3A4 P08684 1/20 0.43
CA9 Q16790 1/20 0.43
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41

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
SCHEMBL2618698 0.79 PTGS2 (0.54) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL10110894 0.79 PTGS2 (0.54) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL4098658 0.79 PTGS2 (0.54) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL683553 0.76 ACHE (0.54) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL9828544 0.76 ACHE (0.54) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL18925030 0.76 PTGS2 (0.50) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL24498543 0.74 PTGS2 (0.48) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL7752210 0.73 PTGS2 (0.52) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL17472292 0.73 PTGS2 (0.52) PTGS2MAPTL3MBTL1MAPK1ACHE
SCHEMBL12659351 0.73 PTGS2 (0.52) PTGS2MAPTL3MBTL1MAPK1ACHE

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-2021149063-A1 ELECTRODES FOR ELECTROCHEMICAL CAPACITORS BASED ON SURFACE-MODIFIED CARBON EEXION ENERGY LTD. (IL) 2021-07-29 WO disclosed