SCHEMBL9727677

SCHEMBL9727677

Oc1cc2c(cc1CCCOc1ccccc1)OC(CCc1ccc(Cl)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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 0.93 MAOA (0.41) FFAR1MAOAMAOB
SCHEMBL9727764 0.84 IGF1R (0.35)
SCHEMBL27739159 0.83 MAOB (0.41) MAOAMAOB
SCHEMBL9727650 0.82 KDM1A (0.41)
SCHEMBL9727669 0.82 MTNR1A (0.43)
SCHEMBL9727674 0.81 LTB4R (0.38) FFAR1PPARGMAOAMAOB
SCHEMBL14435039 0.80 AKR1B1 (0.40)
SCHEMBL5518490 0.80 F2 (0.41) FFAR1PPARGPPARDMAOAMAOB
SCHEMBL9727749 0.79 MAOA (0.34) MAOAMAOB
SCHEMBL9727668 0.77 TDP1 (0.36) PTGDR2TDP1L3MBTL1FFAR1PPARG

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