SCHEMBL8646512

SCHEMBL8646512

O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 13/20 1.00
▸ CYSLTR2 Q9NS75 8/20 1.00
▸ FFAR1 O14842 1/20 0.84
▸ AKR1B1 P15121 1/20 0.84
▸ GPBAR1 Q8TDU6 1/20 0.64

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
SCHEMBL8649544 0.90 FFAR1 (0.97) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10446560 0.89 CYSLTR1 (0.79) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL28298920 0.88 CYSLTR1 (0.79) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8650454 0.88 CYSLTR1 (0.79) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10545819 0.88 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL14021559 0.87 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL14021574 0.86 CYSLTR1 (0.98) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10446852 0.86 CYSLTR1 (0.75) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8712492 0.86 CYSLTR1 (0.75) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL14021512 0.85 CYSLTR1 (0.80) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103423-B Pyrazine compounds 阿斯利康(瑞典)有限公司 2019-12-06 — — CN disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 — — US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 — — US disclosed
EP-0862557-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1998-09-09 — — EP disclosed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 — — US disclosed
WO-1997012867-A1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-04-10 — — WO disclosed
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