SCHEMBL8089864

SCHEMBL8089864

CCCc1ccc(-c2[c]ccc(OC)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP19A1 P11511 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35

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
SCHEMBL8089726 0.87 MAPT (0.38) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6493292 0.82 CNR1 (0.40) ALOX5GABRA1GABRB2MAPTNPC1
SCHEMBL459934 0.81 CA12 (0.44) MAOBMAPTNPC1RAB9ACASP3
SCHEMBL8088884 0.81 NPC1 (0.36) MAOBALOX5TAAR1MAPTNPC1
SCHEMBL8527534 0.79 NQO1 (0.45) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7154087 0.79 NPC1 (0.37) ALOX5TAAR1MAPTNPC1RAB9A
SCHEMBL5622659 0.78 ACHE (0.45) MAOBMAPTNPC1RAB9ACASP3
SCHEMBL9509481 0.77 ALDH1A1 (0.40) MAOBL3MBTL1MAPTNPC1RAB9A
SCHEMBL8327622 0.77 MAOB (0.43) MAOBL3MBTL1MAPTNPC1RAB9A
SCHEMBL11205461 0.77 APP (0.39) MAOBNPC1RAB9ACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed