SCHEMBL4319941

SCHEMBL4319941

COC(=O)c1ccc2c(-c3ccc(C)s3)cn(CCCCNC(=O)c3ccc(C(C)C)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TBXAS1 P24557 4/20 0.41
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MCHR1 Q99705 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GCGR P47871 1/20 0.37
PTAFR P25105 4/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EDNRA P25101 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HTR2A P28223 1/20 0.35
HDAC3 O15379 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4320035 0.91 LMNA (0.44) LMNATBXAS1HPGDMCHR1NPC1
SCHEMBL4335986 0.85 NPC1 (0.47) LMNATBXAS1HPGDPOLBNPC1
SCHEMBL13577942 0.84 LMNA (0.43) LMNATBXAS1HPGDPOLBNPC1
SCHEMBL4337924 0.83 DRD2 (0.43) LMNANPC1RAB9ASMN1; SMN2HTR2A
SCHEMBL13577998 0.83 LMNA (0.47) LMNATBXAS1HPGDPOLBNPC1
SCHEMBL4333764 0.82 LMNA (0.42) LMNATBXAS1HPGDPOLBNPC1
SCHEMBL13578023 0.82 TLR8 (0.42) HPGDPDE4APDE4BPDE4CPDE4D
SCHEMBL13577944 0.78 LMNA (0.45) LMNATBXAS1HPGDPOLBNPC1
SCHEMBL13577939 0.78 NPSR1 (0.42) LMNAHPGDPOLBSMN1; SMN2ALDH1A1
SCHEMBL4330823 0.78 RAB9A (0.43) LMNATBXAS1HPGDMCHR1NPC1

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-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed