SCHEMBL9778563

SCHEMBL9778563

COc1cccc(COc2ccc(C3SCCCS3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.57
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 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
SCHEMBL9778553 0.95 MAOB (0.59) MAOBNPC1RAB9AABCB1HTR1A
SCHEMBL9778676 0.86 MAOB (0.51) MAOBIDO1ACHE
SCHEMBL9778533 0.85 APP (0.51) MAOBNPC1RAB9AIDO1AGXT
SCHEMBL9778874 0.83 MAOB (0.56) MAOB
SCHEMBL9778559 0.82 SLC6A4 (0.41) MAOBNPC1RAB9A
SCHEMBL7571981 0.82 MAOB (0.57) MAOBNPC1RAB9ABCHE
SCHEMBL9778784 0.82 NPC1 (0.53) MAOBNPC1RAB9ATDP1BCHE
SCHEMBL9778894 0.81 KCNH2 (0.52) MAOB
SCHEMBL9778648 0.81 MAOB (0.57) MAOB
SCHEMBL9778479 0.81 MAOB (0.56) MAOBNPC1RAB9ABCHE

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed