SCHEMBL8941305

SCHEMBL8941305

CCCc1c(OCCCOc2ccc(C(=O)N3CCCC3)c(OC)c2CCC)cccc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.53
CYSLTR1 Q9Y271 8/20 0.53
SCN9A Q15858 2/20 0.53
LTB4R Q15722 6/20 0.51
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
PPARG P37231 1/20 0.47
BLM P54132 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
LTB4R2 Q9NPC1 2/20 0.45
HPGD P15428 2/20 0.43
HSD17B10 Q99714 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
SCHEMBL8941405 0.93 SCN9A (0.48) CYSLTR2CYSLTR1SCN9ALTB4RLMNA
SCHEMBL9199172 0.90 SCN9A (0.49) CYSLTR2CYSLTR1SCN9ALTB4RLMNA
SCHEMBL9199187 0.90 SCN9A (0.49) CYSLTR2CYSLTR1SCN9ALTB4RLMNA
SCHEMBL8957222 0.89 CYSLTR2 (0.59) CYSLTR2CYSLTR1LTB4RLMNACYP1A2
SCHEMBL8941387 0.83 CYSLTR2 (0.59) CYSLTR2CYSLTR1LTB4RLMNACYP1A2
SCHEMBL8957035 0.83 CYSLTR2 (0.51) CYSLTR2CYSLTR1LTB4RLMNACYP1A2
SCHEMBL8941349 0.82 LTB4R (0.59) CYSLTR2CYSLTR1LTB4RLMNACYP1A2
SCHEMBL9706856 0.80 SCN9A (0.47) CYSLTR2CYSLTR1SCN9ALTB4RLMNA
SCHEMBL9199183 0.79 CYSLTR2 (0.47) CYSLTR2CYSLTR1SCN9ALTB4RLMNA
SCHEMBL8941565 0.78 LTB4R (0.56) CYSLTR2CYSLTR1LTB4RLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593478-B1 LEUKOTRIENE B 4 ANTAGONISTS SEARLE & CO (US) 1995-12-06 EP claimed
US-5439937-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1995-08-08 US claimed
EP-0593478-A1 LEUKOTRIENE B 4? ANTAGONISTS. SEARLE & CO (US) 1994-04-27 EP claimed
WO-1992000011-A2 LEUKOTRIENE B4 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-01-09 WO claimed
US-5532383-A Leukotriene B4 antagonists G. D. SEARLE & CO. (US) 1996-07-02 US disclosed
US-5516917-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1996-05-14 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