SCHEMBL8957289

SCHEMBL8957289

CCCc1c(OCCCOc2ccc(C(N)=O)c(O)c2CC2CC2)cccc1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.55
CYSLTR1 Q9Y271 11/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53
PPARG P37231 1/20 0.53
BLM P54132 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL8941565 0.90 LTB4R (0.56) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957166 0.90 CYSLTR2 (0.66) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957143 0.90 LTB4R (0.55) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9317125 0.89 CYSLTR2 (0.51) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9316703 0.86 LTB4R (0.56) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957215 0.83 CYSLTR2 (0.56) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8941368 0.81 LTB4R (0.66) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8941387 0.81 CYSLTR2 (0.59) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957186 0.79 CYSLTR2 (0.65) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9198443 0.77 LTB4R (0.54) CYSLTR2CYSLTR1LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532383-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1996-07-02 US disclosed
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 EP disclosed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 US disclosed
US-5310951-A Benzopyran-2-propanoic acid derivatives; antiinflammatory agents G.D. SEARLE & CO. (US) 1994-05-10 US disclosed
US-5124350-A Antiinflammatory agent G. D. SEARLE & CO. (US) 1992-06-23 US disclosed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO disclosed