SCHEMBL15423453

SCHEMBL15423453

O=CCN(CC(=O)O)Cc1cc(C#Cc2cc(OCC(=O)O)cc(OCC(=O)O)c2)cc(CN(CCc2ccc(N=C=S)cc2)Cc2cc(C#Cc3cc(OCC(=O)O)cc(OCC(=O)O)c3)cc(CN(CC(=O)O)CC(=O)O)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
FFAR1 O14842 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
PTGIR P43119 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL15117017 0.86 LTB4R (0.33) KCNH2FFAR1PPARGPPARDPPARA
SCHEMBL14721509 0.80 FFAR1 (0.38) FFAR1
SCHEMBL18677890 0.80 TYR (0.35) CYP3A4MAPT
SCHEMBL15423454 0.78 ADRB2 (0.32) MAPTKMT2A
SCHEMBL18628115 0.77 LPAR1 (0.37) KCNH2FFAR1PPARGPPARDPPARA
SCHEMBL15117030 0.76 ALDH1A1 (0.31) MAPTKMT2A
SCHEMBL706823 0.76 HSD17B10 (0.41) FFAR1
SCHEMBL4598913 0.76 P2RY6 (0.50) KCNH2PPARGPPARAMEN1TP53
SCHEMBL15630171 0.74 HSD17B10 (0.38) FFAR1TDP1
SCHEMBL15630169 0.74 HSD17B10 (0.38) FFAR1TDP1

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
US-20140017807-A9 NOVEL LUMINESCENT LANTHANIDE CHELATES WITH ENHANCED EXCITATION PROPERTIES DHR FINLAND OY (FI) 2014-01-16 US disclosed