SCHEMBL3971114

SCHEMBL3971114

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PLA2G4A P47712 10/20 0.41
RORC P51449 2/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METTL3 Q86U44 2/20 0.40
METTL14 Q9HCE5 2/20 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
SCHEMBL3967394 0.90 PLA2G4A (0.46) HIF1AEPAS1MTNR1AMTNR1BPLA2G4A
SCHEMBL3971169 0.88 PLA2G4A (0.45) MTNR1AMTNR1BPLA2G4ARORCMAPT
SCHEMBL3972961 0.88 RAB9A (0.45) MTNR1AMTNR1BPLA2G4ARORCKDM4E
SCHEMBL3972869 0.83 CYSLTR2 (0.40) MTNR1AMTNR1BPLA2G4ARORCNPC1
SCHEMBL3972371 0.82 SMN1; SMN2 (0.45) PLA2G4ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3976087 0.82 NPC1 (0.49) MTNR1AMTNR1BPLA2G4ARORCKDM4E
SCHEMBL3974621 0.81 MAPK8 (0.46) MTNR1AMTNR1BPLA2G4ANPC1MAPT
SCHEMBL3972866 0.79 MTNR1A (0.55) HIF1AEPAS1MTNR1AMTNR1BPLA2G4A
SCHEMBL3971256 0.78 NPC1 (0.47) MTNR1AMTNR1BPLA2G4AEPHX2NR1H4
SCHEMBL3970202 0.76 RAB9A (0.47) PLA2G4AKDM4ENPC1MAPTRAB9A

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