SCHEMBL21780930

SCHEMBL21780930

COc1ccc(OCc2ccccc2)cc1SC=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
ERN1 O75460 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
MAOA P21397 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP1 P11387 1/20 0.46
GSK3B P49841 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
ALOX5 P09917 1/20 0.45
BCHE P06276 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL6035502 0.79 TUBB1 (0.72) MAOBERN1TUBB1MAOANPC1
SCHEMBL2090976 0.76 MAOB (0.62) MAOBTOP1L3MBTL1ALDH1A1LMNA
SCHEMBL18623122 0.76 MAOB (0.62) MAOBNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL435043 0.76 ALDH1A1 (0.61) MAOBERN1TUBB1MAOANPC1
SCHEMBL13802180 0.75 MAOB (0.60) MAOBTUBB1MAOANPC1RAB9A
SCHEMBL8184228 0.75 MAOB (0.60) MAOBTUBB1L3MBTL1ALDH1A1LMNA
SCHEMBL30148511 0.75 MAOB (0.60) MAOBTUBB1L3MBTL1ALDH1A1LMNA
SCHEMBL3119532 0.74 MAOB (0.55) MAOBMAOARAB9AL3MBTL1ALDH1A1
SCHEMBL5728865 0.74 MAOB (0.58) MAOBTUBB1L3MBTL1ALDH1A1LMNA
SCHEMBL18044481 0.74 MAOB (0.58) MAOBL3MBTL1ALDH1A1LMNAMAPT

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-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed