SCHEMBL6161087

SCHEMBL6161087

CCCCCCCC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
ELANE P08246 4/20 0.35
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 2/20 0.32
DGKA P23743 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NLRP3 Q96P20 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL6160859 1.00 P2RX7 (0.39) P2RX7ELANEMAPTCYP1A2CYP3A4
SCHEMBL8010363 0.86 HSP90B1 (0.32) HPGDALDH1A1HSP90B1
SCHEMBL6162100 0.82 DGKA (0.39) P2RX7MAPTEPHX2DGKASLC6A4
SCHEMBL6165162 0.81
SCHEMBL6974759 0.81 HSP90B1 (0.40) MAPTCYP1A2CYP2C9CYP2C19PSEN1
SCHEMBL6160555 0.79
SCHEMBL6168625 0.78 HPGD (0.33) MAPTHPGD
SCHEMBL8009850 0.78 HPGD (0.33) MAPTHPGD
SCHEMBL6161220 0.78 HPGD (0.33) MAPTHPGD
SCHEMBL6967962 0.77

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