SCHEMBL9513076

SCHEMBL9513076

CCCc1c(OCc2ccccc2)ccc2c1OC(CCC(=O)O)(CCC(=O)O)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.48
LTB4R2 Q9NPC1 13/20 0.48
FFAR4 Q5NUL3 1/20 0.40
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL9515500 0.93 LTB4R (0.42) LTB4RLTB4R2MAOBMRGPRX4
SCHEMBL9513179 0.87 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9514458 0.85 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9513644 0.85 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9515357 0.85 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9515334 0.85 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL9513346 0.83 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL9513163 0.83 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL9513264 0.82 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL9514474 0.81 LTB4R (0.51) LTB4RLTB4R2

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