Sugi Predict

Sugi Predict / Compounds / SCHEMBL9515334

SCHEMBL9515334

SCHEMBL9515334

CCCc1ccccc1OCCCOc1ccc2c(c1CCC)OC(CCC(=O)O)(CCC(=O)O)CC2=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 16/20 0.62
▸ LTB4R2 Q9NPC1 16/20 0.62
▸ PPARD Q03181 4/20 0.47
▸ PPARG P37231 3/20 0.47
▸ PPARA Q07869 2/20 0.42

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
SCHEMBL9513179 0.91 LTB4R (0.53) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9512244 0.91 LTB4R (0.53) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9513163 0.89 LTB4R (0.51) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9515357 0.88 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9514458 0.88 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9513644 0.88 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL9512248 0.86 LTB4R (0.51) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9513264 0.86 LTB4R (0.49) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9513346 0.86 LTB4R (0.52) LTB4RLTB4R2PPARDPPARGPPARA
SCHEMBL9513076 0.85 LTB4R (0.48) 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