SCHEMBL9263283

SCHEMBL9263283

O=c1cc(-c2ccsc2)c2ccc(COc3cc(F)cc(C4CC(O)CCO4)c3)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.47
MAOB P27338 3/20 0.37
AR P10275 2/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
TUBB P07437 1/20 0.33
MAOA P21397 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 0.90 ALOX5 (0.45) ALOX5MAOBARKDM4ESMN1; SMN2
SCHEMBL9264414 0.90 ALOX5 (0.57) ALOX5MAOBKDM4ESMN1; SMN2TUBB
SCHEMBL9269565 0.85 MAOB (0.49) ALOX5MAOBARSMN1; SMN2
SCHEMBL9259265 0.81 ALOX5 (0.37) ALOX5MAOBARKDM4EBCHE
SCHEMBL9258559 0.76 MAOB (0.48) MAOBARMAOA
SCHEMBL9261473 0.75 MAOB (0.41) MAOBKDM4ESMN1; SMN2
SCHEMBL9265290 0.75 MAOB (0.63) MAOBARKDM4ESMN1; SMN2MAOA
SCHEMBL9263552 0.75 MAOB (0.47) MAOBARMAOA
SCHEMBL9268130 0.74 MAOB (0.46) MAOBARMAOA
SCHEMBL9261102 0.72 MAOB (0.49) ALOX5MAOBARSMN1; SMN2

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
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed