SCHEMBL9513714

SCHEMBL9513714

CCCCCCCCCCOc1ccc2c(c1CCC)OC(CCC(=O)OCC)(CCC(=O)OCC)CC2=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.51
LTB4R2 Q9NPC1 15/20 0.51
PRKCA P17252 3/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9515370 1.00 LTB4R (0.51) LTB4RLTB4R2PRKCAKDM4EALDH1A1
SCHEMBL9513132 1.00 LTB4R (0.51) LTB4RLTB4R2PRKCAKDM4EALDH1A1
SCHEMBL9514458 0.90 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9513644 0.90 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9515357 0.90 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9512244 0.89 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL9515360 0.88 LTB4R (0.43) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9514454 0.88 LTB4R (0.43) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9513652 0.88 LTB4R (0.43) LTB4RLTB4R2KDM4EALDH1A1HPGD
SCHEMBL9512457 0.86 LTB4R (0.43) 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