SCHEMBL10077880

SCHEMBL10077880

COc1ccc(C2(O)c3ccc(N=O)c(C)c3OCC2c2ccc(O)c(N=O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
ALOX12 P18054 3/20 0.38
BACE1 P56817 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2569873 0.83 ALOX15 (0.42) ALOX15ALOX12BACE1NPC1MAPT
SCHEMBL2563485 0.83 ALOX15 (0.46) ALOX15ALOX12BACE1NPC1MAPT
SCHEMBL13673358 0.82 ALOX15 (0.41) ALOX15ALOX12BACE1NPC1
SCHEMBL10042946 0.82 ALOX15 (0.41) ALOX15ALOX12BACE1NPC1
SCHEMBL2570965 0.81 ALOX15 (0.40) ALOX15ALOX12BACE1MAPT
SCHEMBL2563436 0.81 ALOX15 (0.40) ALOX15ALOX12BACE1MAPTMAPK1
SCHEMBL2570309 0.80 ALOX15 (0.43) ALOX15ALOX12NPC1MAPT
SCHEMBL2566790 0.80 ALOX15 (0.39) ALOX15ALOX12BACE1MAPT
SCHEMBL2568812 0.79 ALOX15 (0.38) ALOX15ALOX12BACE1NPC1MAPT
SCHEMBL10042943 0.78 GAA (0.39) ALOX15ALOX12NPC1

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
EP-2407462-A1 Substituted chroman derivatives, medicaments and use in therapy Marshall Edwards, Inc. (US) 2012-01-18 EP disclosed