SCHEMBL4333764

SCHEMBL4333764

COC(=O)c1ccc2c(-c3ccoc3)cn(CCCCNC(=O)c3ccc(C(C)C)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NR4A2 P43354 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TBXAS1 P24557 3/20 0.37
EDNRA P25101 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
PTGER2 P43116 1/20 0.34
PTAFR P25105 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
SCHEMBL4338927 0.92 LMNA (0.43) LMNAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4335986 0.88 NPC1 (0.47) LMNAHPGDPOLBNPC1RAB9A
SCHEMBL13577942 0.83 LMNA (0.43) LMNAHPGDPOLBNPC1RAB9A
SCHEMBL4319941 0.82 LMNA (0.42) LMNAHPGDPOLBNPC1RAB9A
SCHEMBL4337924 0.82 DRD2 (0.43) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13577998 0.82 LMNA (0.47) LMNAHPGDPOLBNPC1RAB9A
SCHEMBL4342701 0.82 NR4A2 (0.45) NR4A2HPGDPTGER2
SCHEMBL13577951 0.81 NR4A2 (0.38) NR4A2POLBRAB9ASMN1; SMN2HDAC3
SCHEMBL4330789 0.80 NPC1 (0.49) LMNAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4340863 0.78 PTAFR (0.42) LMNANPC1RAB9ASMN1; SMN2SCN9A

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