SCHEMBL9316703

SCHEMBL9316703

CCCc1c(OCCCOc2ccc(C(N)=O)c(O)c2CC2CC2)cccc1OC(CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.56
CYSLTR2 Q9NS75 5/20 0.44
CYSLTR1 Q9Y271 5/20 0.44
LTB4R2 Q9NPC1 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
PPARG P37231 1/20 0.43
BLM P54132 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL9198443 0.91 LTB4R (0.54) LTB4RCYSLTR2CYSLTR1LTB4R2
SCHEMBL8957289 0.86 CYSLTR2 (0.55) LTB4RCYSLTR2CYSLTR1LTB4R2LMNA
SCHEMBL8941565 0.77 LTB4R (0.56) LTB4RCYSLTR2CYSLTR1LTB4R2LMNA
SCHEMBL8957143 0.76 LTB4R (0.55) LTB4RCYSLTR2CYSLTR1LTB4R2LMNA
SCHEMBL8957166 0.76 CYSLTR2 (0.66) LTB4RCYSLTR2CYSLTR1LMNACYP1A2
SCHEMBL9317125 0.76 CYSLTR2 (0.51) LTB4RCYSLTR2CYSLTR1LTB4R2LMNA
SCHEMBL8583488 0.72 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8957057 0.71 LTB4R (0.46) LTB4RCYSLTR2CYSLTR1LTB4R2PPARG
SCHEMBL8957215 0.70 CYSLTR2 (0.56) LTB4RCYSLTR2CYSLTR1LMNACYP1A2
SCHEMBL8586491 0.69 LTB4R (0.58) LTB4RPPARGPPARA

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
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP disclosed