SCHEMBL3972961

SCHEMBL3972961

CC(C)c1ccc(NC(=O)COCCc2cn(-c3ccccc3)c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PLA2G4A P47712 5/20 0.42
HPGD P15428 2/20 0.42
BRD4 O60885 1/20 0.41
RORC P51449 2/20 0.41
MAPK8 P45983 1/20 0.40
METTL3 Q86U44 1/20 0.40

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
SCHEMBL3974621 0.93 MAPK8 (0.46) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3976087 0.91 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3967394 0.90 PLA2G4A (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3971169 0.88 PLA2G4A (0.45) MAPTMEN1KMT2AMTNR1AMTNR1B
SCHEMBL3970202 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3971114 0.88 HIF1A (0.45) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL3975570 0.85 RAB9A (0.47) RAB9AMAPTMEN1GFERKMT2A
SCHEMBL13883894 0.83 LTA4H (0.44) RAB9AMAPTKDM4EL3MBTL1MEN1
SCHEMBL3972869 0.83 CYSLTR2 (0.40) NPC1ALDH1A1MTNR1AMTNR1BPLA2G4A
SCHEMBL3972371 0.82 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed