SCHEMBL5717898

SCHEMBL5717898

N#Cc1cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)cc(NC2CCC2)c1.N#Cc1cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)cc(NC2CCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.33
PTGDR Q13258 2/20 0.33
THRB P10828 3/20 0.32
THRA P10827 2/20 0.32
CXCR3 P49682 2/20 0.32
AKR1B1 P15121 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGLN1 Q9GZT9 4/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31
USP5 P45974 1/20 0.30
FLT1 P17948 1/20 0.30
EGLN3 Q9H6Z9 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
SCHEMBL4929677 0.96 MRGPRX4 (0.38) MRGPRX4CXCR3AKR1B1PDE4APDE4B
SCHEMBL5717902 0.89 MRGPRX4 (0.33) MRGPRX4CXCR3HSD17B10TAOK1TAOK3
SCHEMBL5718186 0.89 PTGDR (0.34) PTGDR2PTGDRTHRBTHRAPDE4A
SCHEMBL5718269 0.87 THRA (0.40) MRGPRX4THRBTHRAEGLN1
SCHEMBL5717820 0.87 ALDH1A1 (0.34) MRGPRX4PTGDR2PTGDRTHRBTHRA
SCHEMBL5717962 0.87 F2 (0.37) PTGDR2PTGDRTHRBTHRAPDE4A
SCHEMBL4934191 0.87 EGLN1 (0.36) MRGPRX4THRBTHRAPDE4APDE4B
SCHEMBL5718126 0.86 MRGPRX4 (0.37) MRGPRX4THRBTHRAAKR1B1HSD17B10
SCHEMBL5718139 0.86 MRGPRX4 (0.38) MRGPRX4THRBTHRAAKR1B1HSD17B10
SCHEMBL5717926 0.85 PTPN1 (0.39) MRGPRX4TAOK1TAOK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed