SCHEMBL3944516

SCHEMBL3944516

COc1cccc(CCC(=O)CC(=O)OCc2cccc(F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3944885 0.88 GAA (0.54) MAOBNPC1RAB9AHDAC1HDAC6
SCHEMBL11073323 0.85 HCAR2 (0.49) RAB9AMAPTKDM4EALDH1A1TDP1
SCHEMBL3944122 0.83 RAB9A (0.47) NPC1RAB9AMAPTHDAC1HDAC6
SCHEMBL3941686 0.83 RAB9A (0.52) NPC1RAB9AMAPTHDAC1HDAC6
SCHEMBL13941765 0.82 APP (0.49) MAOBRAB9AKDM4EMMP1MMP2
SCHEMBL7080205 0.82 TAAR1 (0.49) MAOBMRGPRX4MEN1KMT2A
SCHEMBL11066194 0.81 NPC1 (0.46) MAOBNPC1RAB9AMAPTKDM4E
SCHEMBL28212223 0.81 NPC1 (0.54) NPC1RAB9AMTNR1AMTNR1BMEN1
SCHEMBL3951209 0.78 CYP3A4 (0.51) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL7332474 0.78 TAAR1 (0.61) RAB9AHDAC1HDAC6MTNR1AMTNR1B

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed