SCHEMBL4338927

SCHEMBL4338927

CC(C)c1ccc(C(=O)NCCCCn2cc(-c3ccoc3)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
TBXAS1 P24557 4/20 0.40
HDAC3 O15379 1/20 0.37
PTAFR P25105 4/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SCN9A Q15858 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL4333764 0.92 LMNA (0.42) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4330789 0.88 NPC1 (0.49) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4328379 0.82 NPC1 (0.47) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4340863 0.82 PTAFR (0.42) LMNANPC1RAB9ASMN1; SMN2PTAFR
SCHEMBL4320035 0.82 LMNA (0.44) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4334076 0.82 NPC1 (0.43) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4335986 0.81 NPC1 (0.47) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4333799 0.80 APP (0.35) HDAC3HDAC1HDAC6
SCHEMBL4332243 0.80 PTAFR (0.45) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4330823 0.78 RAB9A (0.43) LMNANPC1RAB9ASMN1; SMN2HPGD

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