SCHEMBL9706856

SCHEMBL9706856

CC=Cc1c(OCCCOc2cccc(OC(C)=O)c2CCC)ccc(C(=O)N2CCCC2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.47
LTB4R Q15722 8/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9199172 0.90 SCN9A (0.49) SCN9ALTB4RLTB4R2HPGDHSD17B10
SCHEMBL9199187 0.90 SCN9A (0.49) SCN9ALTB4RLTB4R2HPGDHSD17B10
SCHEMBL8941305 0.80 CYSLTR2 (0.53) SCN9ALTB4RLTB4R2HPGDHSD17B10
SCHEMBL8941405 0.77 SCN9A (0.48) SCN9ALTB4RLTB4R2HPGDHSD17B10
SCHEMBL9706858 0.75 LTB4R (0.55) LTB4RLTB4R2LMNACYSLTR2CYSLTR1
SCHEMBL9195871 0.72 LTB4R (0.49) LTB4RLTB4R2KDM4ELMNACYSLTR2
SCHEMBL8957222 0.71 CYSLTR2 (0.59) LTB4RLMNACYSLTR2CYSLTR1
SCHEMBL8957035 0.68 CYSLTR2 (0.51) LTB4RHSD17B10LMNACYSLTR2CYSLTR1
SCHEMBL9694165 0.68 LTB4R (0.46) SCN9ALTB4RLTB4R2
SCHEMBL8941740 0.66 LTB4R (0.69) LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO claimed