SCHEMBL3976087

SCHEMBL3976087

CC(C)c1cccc(NC(=O)COCCc2cn(-c3ccccc3)c3ccc(C(=O)O)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RORC P51449 2/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PLA2G4A P47712 10/20 0.41
METTL3 Q86U44 2/20 0.39
METTL14 Q9HCE5 2/20 0.39
NOD1 Q9Y239 1/20 0.39
MITF O75030 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39

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
SCHEMBL3972961 0.91 RAB9A (0.45) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3967394 0.85 PLA2G4A (0.46) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3974621 0.84 MAPK8 (0.46) NPC1RAB9ASMN1; SMN2MAPTMTNR1A
SCHEMBL3971169 0.83 PLA2G4A (0.45) MAPTRORCMTNR1AMTNR1BPLA2G4A
SCHEMBL3971114 0.82 HIF1A (0.45) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3972371 0.81 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2MAPTPLA2G4A
SCHEMBL3970202 0.80 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3972869 0.78 CYSLTR2 (0.40) NPC1RORCMTNR1AMTNR1BPLA2G4A
SCHEMBL3975570 0.77 RAB9A (0.47) RAB9AMAPTRORCMTNR1AMTNR1B
SCHEMBL4340830 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EMAPT

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-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