SCHEMBL9259265

SCHEMBL9259265

COC1CCOC(c2cc(Br)cc(OCc3ccc4c(-c5ccsc5)cc(=O)oc4c3)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.37
MAOB P27338 5/20 0.37
AR P10275 4/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL9258376 0.91 ALOX5 (0.45) ALOX5MAOBARMAOAACHE
SCHEMBL9258559 0.85 MAOB (0.48) MAOBARMAOAMEN1NPC1
SCHEMBL9263283 0.81 ALOX5 (0.47) ALOX5MAOBARMAOAACHE
SCHEMBL9263552 0.77 MAOB (0.47) MAOBARMAOAMEN1NPC1
SCHEMBL9268130 0.77 MAOB (0.46) MAOBARMAOAMEN1NPC1
SCHEMBL9270438 0.76 MAOB (0.41) MAOBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9269565 0.75 MAOB (0.49) ALOX5MAOBARALDH1A1HPGD
SCHEMBL9254545 0.75 MAOB (0.61) MAOBARMAOAALDH1A1HPGD
SCHEMBL9267747 0.72 MAOB (0.48) ALOX5MAOBARMAOAMEN1
SCHEMBL9157666 0.71 ALOX5 (0.39) ALOX5MAOBALDH1A1HPGDNPC1

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
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed