SCHEMBL6161220

SCHEMBL6161220

CCCCCCCCCC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 14/20 0.33
TLR8 Q9NR97 11/20 0.33
GSK3B P49841 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR1 Q92633 1/20 0.32

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
SCHEMBL6168625 1.00 HPGD (0.33) HPGDMAPTTLR7TLR8GSK3B
SCHEMBL6162355 1.00 HPGD (0.33) HPGDMAPTTLR7TLR8GSK3B
SCHEMBL8009850 1.00 HPGD (0.33) HPGDMAPTTLR7TLR8GSK3B
SCHEMBL6162169 1.00 HPGD (0.33) HPGDMAPTTLR7TLR8GSK3B
SCHEMBL6166944 1.00 HPGD (0.33) HPGDMAPTTLR7TLR8GSK3B
SCHEMBL6160389 0.96 LPAR3 (0.38) LPAR3LPAR1
SCHEMBL6160375 0.96 LPAR3 (0.38) LPAR3LPAR1
SCHEMBL6159794 0.92 PPARG (0.33) HPGD
SCHEMBL6161870 0.92 PPARG (0.33) HPGD
SCHEMBL6160633 0.92 PPARG (0.33) HPGD

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
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed