SCHEMBL8957166

SCHEMBL8957166

CCCc1c(OCCCOc2ccc(C(N)=O)c(O)c2CCC)cccc1OCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.66
CYSLTR1 Q9Y271 10/20 0.66
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
NFKB1 P19838 1/20 0.64
PPARG P37231 1/20 0.64
BLM P54132 1/20 0.64
PPARD Q03181 1/20 0.64
PPARA Q07869 1/20 0.64
LTB4R Q15722 1/20 0.60

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
SCHEMBL8957215 0.91 CYSLTR2 (0.56) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957289 0.90 CYSLTR2 (0.55) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8941387 0.88 CYSLTR2 (0.59) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957186 0.88 CYSLTR2 (0.65) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9192377 0.84 CYSLTR2 (0.60) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8957222 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8941560 0.82 CYSLTR2 (0.51) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL10903729 0.82 CYSLTR2 (0.78) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL8941565 0.81 LTB4R (0.56) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL9317125 0.80 CYSLTR2 (0.51) CYSLTR2CYSLTR1LMNACYP1A2MAPT

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