SCHEMBL9727668

SCHEMBL9727668

CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2OC1CCc1ccc(Cl)cc1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
FFAR1 O14842 2/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
BACE1 P56817 1/20 0.34
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL9727677 0.77 PTGDR2 (0.38) TDP1L3MBTL1PTGDR2FFAR1PPARG
SCHEMBL9727665 0.74 L3MBTL1 (0.38) L3MBTL1PTGDR2TAAR1
SCHEMBL5506271 0.69 MAOA (0.41) FFAR1MAOB
SCHEMBL9727331 0.67 MTNR1A (0.37) MAOB
SCHEMBL9727632 0.64 DRD2 (0.39) FFAR1PPARGPPARD
SCHEMBL21331850 0.63 GPR84 (0.61) FFAR1PPARGPPARDMAOBTAAR1
SCHEMBL10459582 0.62 MAOB (0.48) MAOB
SCHEMBL10459597 0.62 MAOB (0.45) PPARGPPARDMAOB
SCHEMBL27739159 0.61 MAOB (0.41) MAOB
SCHEMBL27491253 0.61 SLC6A4 (0.46) FFAR1MAOB

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