SCHEMBL17338657

SCHEMBL17338657

O=CC(Br)c1coc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.48
MAOA P21397 5/20 0.48
ACHE P22303 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
MTNR1A P48039 1/20 0.44
KMT2A Q03164 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
SCHEMBL27707705 0.79 MAOB (0.55) MAOBMAOAACHETDP1NPC1
SCHEMBL17338651 0.77 PPARD (0.52) MAOBMAOAACHETDP1NPC1
SCHEMBL5702267 0.76 MAOB (0.47) MAOBMAOA
SCHEMBL28073665 0.76 PPARD (0.51) MAOBMAOAACHETDP1NPC1
SCHEMBL17338670 0.76 MAOB (0.59) MAOBMAOAACHENPC1MEN1
SCHEMBL29530200 0.76 MAOB (0.64) MAOBMAOAACHETDP1NPC1
SCHEMBL9749438 0.75 MAOB (0.56) MAOBMAOAACHETDP1NPC1
SCHEMBL1903691 0.74 MAOB (0.47) MAOBMAOACA2
SCHEMBL14018181 0.74 MAOB (0.65) MAOBMAOAACHETDP1NPC1
SCHEMBL30843885 0.74 MAOB (0.65) MAOBMAOAACHETDP1NPC1

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
WO-2015189117-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-17 WO disclosed