SCHEMBL13578024

SCHEMBL13578024

COC(=O)c1ccc2c(-c3ccccc3)cn(CCOCC(=O)Nc3ccc(C)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
RAB9A P51151 4/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 10/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL4333770 0.93 CPT2 (0.53) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL13578018 0.92 CPT2 (0.46) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL13578022 0.91 CPT2 (0.45) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL4327253 0.91 CPT2 (0.45) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL13577917 0.89 RXFP1 (0.42) CPT2CPT1ACPT1BSMN1; SMN2MAPT
SCHEMBL13577920 0.88 KMT2A (0.46) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL13577916 0.87 ALDH1A1 (0.48) RAB9ASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL13578020 0.87 CPT2 (0.42) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL13578019 0.87 ATM (0.49) CPT2CPT1ACPT1BRAB9ATP53
SCHEMBL13578021 0.86 NPC1 (0.48) RAB9ATP53SMN1; SMN2MAPTALDH1A1

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 1 patent. 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