SCHEMBL9512199

SCHEMBL9512199

CCCc1c(OCCCOc2cccc3c2CCCC3)ccc2c1OC(CCC(=O)OC)(CCC(=O)N1CCCC1)CC2=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.39
LTB4R2 Q9NPC1 13/20 0.39
MCL1 Q07820 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL9513292 0.94 LTB4R (0.44) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9514439 0.88 LTB4R (0.42) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9512485 0.87 LTB4R (0.49) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9512210 0.85 LTB4R (0.41) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9511696 0.85 LTB4R (0.45) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9512193 0.85 LTB4R (0.40) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9513226 0.85 LTB4R (0.51) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9515364 0.84 LTB4R (0.48) LTB4RLTB4R2MCL1S1PR5
SCHEMBL9513150 0.84 LTB4R (0.41) LTB4RLTB4R2MCL1PTGESALOX5
SCHEMBL9513650 0.81 LTB4R (0.39) LTB4RLTB4R2MCL1PTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342664-B1 2,2-disubstituted benzopyran leukotriene-D4 antagonists SEARLE & CO (US) 1993-12-15 EP disclosed
US-5093353-A 2,2-di-substituted benzopyran leukotriene-D4 antagonists G. D. SEARLE & CO. (US) 1992-03-03 US disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed