SCHEMBL9778784

SCHEMBL9778784

COc1ccc(COc2cccc(C3SCCCS3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOB P27338 9/20 0.49
APP P05067 4/20 0.48
SPHK2 Q9NRA0 1/20 0.47
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
SMPD1 P17405 1/20 0.46
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
SCHEMBL9778499 0.88 MAOB (0.54) NPC1RAB9AMAOBAPP
SCHEMBL9778556 0.87 KDM1A (0.49) MAOBBCHE
SCHEMBL9778719 0.86 NR4A2 (0.48) MAOBSPHK2TLR4TLR2SMPD1
SCHEMBL9778533 0.85 APP (0.51) NPC1RAB9AMAOBAPP
SCHEMBL9778898 0.84 MAOB (0.39) MAOBAPP
SCHEMBL4785764 0.83 TSHR (0.49) NPC1
SCHEMBL9778693 0.83 MAOB (0.56) NPC1RAB9ATDP1MAOBAPP
SCHEMBL9778608 0.82 LTA4H (0.44)
SCHEMBL9778563 0.82 MAOB (0.57) NPC1RAB9ATDP1MAOBBCHE
SCHEMBL9778609 0.80 MAOB (0.40) NPC1RAB9ATDP1MAOBAPP

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