SCHEMBL9259277

SCHEMBL9259277

COC1CCOC(c2cccc(COc3ccc4c(C)cc(=O)oc4c3)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAOB P27338 8/20 0.58
MAOA P21397 3/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
AR P10275 2/20 0.51
ACHE P22303 7/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL9254545 0.88 MAOB (0.61) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9267165 0.88 KMT2A (0.51) RAB9ANPC1KMT2AMAOBMAOA
SCHEMBL9263722 0.87 NPC1 (0.58) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9259465 0.86 KMT2A (0.44) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9258559 0.85 MAOB (0.48) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9267747 0.85 MAOB (0.48) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9160911 0.80 MEN1 (0.44) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9263552 0.77 MAOB (0.47) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL9265290 0.77 MAOB (0.63) RAB9ANPC1KMT2AMAOBMAOA
SCHEMBL9268118 0.77 ALDH1A1 (0.48) RAB9ANPC1MEN1KMT2AMAOB

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