SCHEMBL4332243

SCHEMBL4332243

CC(C)c1ccc(C(=O)NCCCCn2cc(-c3ccccn3)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TBXAS1 P24557 5/20 0.44
LMNA P02545 2/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42
DGAT2 Q96PD7 1/20 0.40
HPGD P15428 1/20 0.39
HDAC3 O15379 2/20 0.39
EGFR P00533 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 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
SCHEMBL13578027 0.89 HTR1A (0.42) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL4330789 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TBXAS1LMNA
SCHEMBL4326720 0.85 DRD3 (0.47) PTAFRNPC1RAB9ALMNAHTR1A
SCHEMBL4328379 0.85 NPC1 (0.47) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL4320035 0.83 LMNA (0.44) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL4330823 0.81 RAB9A (0.43) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL4334076 0.81 NPC1 (0.43) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL4338927 0.80 LMNA (0.43) PTAFRNPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL4335986 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TBXAS1LMNA
SCHEMBL4340863 0.80 PTAFR (0.42) PTAFRNPC1RAB9ASMN1; SMN2LMNA

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