SCHEMBL9513264

SCHEMBL9513264

CCCc1c(OCCCOc2ccc(Cl)c3ccccc23)ccc2c1OC(CCC(=O)O)(CCC(=O)O)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.49
LTB4R2 Q9NPC1 14/20 0.49
MCL1 Q07820 2/20 0.41
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 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
SCHEMBL9513671 0.91 LTB4R (0.41) LTB4RLTB4R2MCL1KMT2A
SCHEMBL9513163 0.89 LTB4R (0.51) LTB4RLTB4R2MCL1PPARGPPARD
SCHEMBL9513179 0.88 LTB4R (0.53) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL9513637 0.87 LTB4R (0.51) LTB4RLTB4R2PPARGPPARA
SCHEMBL9515334 0.86 LTB4R (0.62) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL9514473 0.85 LTB4R (0.51) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL9512248 0.85 LTB4R (0.51) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL9515357 0.85 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9513644 0.85 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9514458 0.85 LTB4R (0.61) 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