SCHEMBL5992168

SCHEMBL5992168

CCc1ccc(O)c(C(=O)c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
HSD17B14 Q9BPX1 1/20 0.46
NPC1 O15118 3/20 0.45
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TRPA1 O75762 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5990020 0.82 RAB9A (0.70) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL8711999 0.80 TRPA1 (0.42) RAB9ANPC1TLR7MAPTTRPA1
SCHEMBL8709730 0.78 GSTA1 (0.61) RAB9AHSD17B14NPC1KMT2AALDH1A1
SCHEMBL29994104 0.78 GSTA1 (0.61) RAB9AHSD17B14NPC1KMT2AALDH1A1
SCHEMBL4521629 0.77 HNF4A (0.54) GAAMAPK1KMT2AALDH1A1MEN1
SCHEMBL30070803 0.77 HNF4A (0.54) GAAMAPK1KMT2AALDH1A1MEN1
SCHEMBL30118935 0.76 KMT2A (0.58) RAB9AHSD17B14KMT2AALDH1A1LMNA
SCHEMBL8710005 0.76 KMT2A (0.58) RAB9AHSD17B14KMT2AALDH1A1LMNA
SCHEMBL3702884 0.76 KDM4E (0.44) RAB9ANPC1GAAKMT2AALDH1A1
SCHEMBL18557316 0.75 KMT2A (0.53) RAB9AHSD17B14NPC1PKMKMT2A

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed