SCHEMBL9706858

SCHEMBL9706858

CCCc1c(OCCCOc2ccc(C(N)=O)c(OC)c2CCC)cccc1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.55
LTB4R2 Q9NPC1 3/20 0.55
CYSLTR2 Q9NS75 8/20 0.46
CYSLTR1 Q9Y271 8/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL9195871 0.92 LTB4R (0.49) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL8941387 0.87 CYSLTR2 (0.59) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL9196138 0.86 LTB4R (0.57) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL9196144 0.86 LTB4R (0.60) LTB4RLTB4R2CYSLTR2CYSLTR1
SCHEMBL8941560 0.79 CYSLTR2 (0.51) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL9192886 0.79 LTB4R (0.52) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL9192882 0.79 LTB4R (0.50) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL8941565 0.79 LTB4R (0.56) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA
SCHEMBL6933646 0.77 LTB4R (0.52) LTB4RLTB4R2LMNAMAPTHDAC6
SCHEMBL8777242 0.76 CYSLTR2 (0.69) LTB4RLTB4R2CYSLTR2CYSLTR1LMNA

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