SCHEMBL9727674

SCHEMBL9727674

CC(C)(C(=O)O)c1ccc(OCCCc2cc3c(cc2O)CC(CCc2ccccc2)O3)cc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PPARG P37231 2/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 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
SCHEMBL5506271 0.87 MAOA (0.41) FFAR1MAOAMAOB
SCHEMBL9727650 0.86 KDM1A (0.41)
SCHEMBL9727765 0.82 MTNR1B (0.39)
SCHEMBL9727677 0.81 PTGDR2 (0.38) PPARGFFAR1MAOAMAOB
SCHEMBL9727767 0.80 HIF1A (0.36) PPARG
SCHEMBL9727669 0.79 MTNR1A (0.43)
SCHEMBL5518490 0.78 F2 (0.41) PPARGFFAR1MAOAMAOB
SCHEMBL27739159 0.77 MAOB (0.41) MAOAMAOB
SCHEMBL9727749 0.77 MAOA (0.34) MAOAMAOB
SCHEMBL14435039 0.77 AKR1B1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed