SCHEMBL6162100

SCHEMBL6162100

CCCCCCCCCCC(=O)OCCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.39
EPHX2 P34913 5/20 0.36
P2RX7 Q99572 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.33
DNM1 Q05193 1/20 0.33
CNR2 P34972 2/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
AGER Q15109 1/20 0.32
CNR1 P21554 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
SCHEMBL6165076 0.85 HSP90B1 (0.32)
SCHEMBL6161087 0.82 P2RX7 (0.39) DGKAEPHX2P2RX7SLC6A4SLC6A3
SCHEMBL6160859 0.82 P2RX7 (0.39) DGKAEPHX2P2RX7SLC6A4SLC6A3
SCHEMBL6973160 0.79 HSP90B1 (0.39) MAPT
SCHEMBL6963069 0.76 HSP90B1 (0.34)
SCHEMBL7085593 0.76 HSP90B1 (0.37) MAPT
SCHEMBL6968317 0.75
SCHEMBL6960253 0.74 PTGDR2 (0.32)
SCHEMBL6163272 0.74 HSP90B1 (0.33)
SCHEMBL6165086 0.73

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