SCHEMBL6166945

SCHEMBL6166945

CCCCCCCCCCCCCC(=O)NC(=O)OC(Cc1ccncc1)c1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
LPAR3 Q9UBY5 2/20 0.32
LPAR1 Q92633 1/20 0.32
MAPT P10636 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR2 O60603 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
SCHEMBL6168629 1.00 HPGD (0.33) HPGDLPAR3LPAR1MAPTHDAC3
SCHEMBL6162172 1.00 HPGD (0.33) HPGDLPAR3LPAR1MAPTHDAC3
SCHEMBL6162360 1.00 HPGD (0.33) HPGDLPAR3LPAR1MAPTHDAC3
SCHEMBL8009855 1.00 HPGD (0.33) HPGDLPAR3LPAR1MAPTHDAC3
SCHEMBL6161223 1.00 HPGD (0.33) HPGDLPAR3LPAR1MAPTHDAC3
SCHEMBL6160382 0.96 LPAR3 (0.38) LPAR3LPAR1
SCHEMBL6160378 0.96 LPAR3 (0.38) LPAR3LPAR1
SCHEMBL6160630 0.90 NPC1 (0.30) HPGD
SCHEMBL6161865 0.90 NPC1 (0.30) HPGD
SCHEMBL6160804 0.90 GPR84 (0.31)

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