SCHEMBL8957175

SCHEMBL8957175

CCCc1c(OCCCCl)cccc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.61
CYSLTR2 Q9NS75 8/20 0.52
CYSLTR1 Q9Y271 8/20 0.52
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
PPARD Q03181 3/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LTB4R2 Q9NPC1 2/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 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
SCHEMBL8949587 0.85 USP2 (0.49) LTB4RPPARGPPARAPPARDMAPT
SCHEMBL8957184 0.81 LTB4R (0.58) LTB4RCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL6450398 0.79 L3MBTL1 (0.53) LTB4RCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL8957166 0.79 CYSLTR2 (0.66) LTB4RCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL8957186 0.78 CYSLTR2 (0.65) LTB4RCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL8941387 0.78 CYSLTR2 (0.59) LTB4RCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL5429755 0.77 L3MBTL1 (0.71) PPARGPPARAPPARDCYP1A2MAPT
SCHEMBL8949613 0.77 LTB4R (0.51) LTB4RMAPTLMNAL3MBTL1LTB4R2
SCHEMBL8941349 0.76 LTB4R (0.59) LTB4RCYSLTR2CYSLTR1PPARGPPARA
SCHEMBL5386792 0.76 L3MBTL1 (0.65) LTB4RLMNAGLAL3MBTL1KMT2A

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 7 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
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