SCHEMBL10545819

SCHEMBL10545819

O=C(O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 16/20 1.00
CYSLTR2 Q9NS75 13/20 1.00
FFAR1 O14842 1/20 0.75
AKR1B1 P15121 1/20 0.75
GPBAR1 Q8TDU6 3/20 0.70

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
SCHEMBL14021495 0.91 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL14021528 0.90 CYSLTR1 (0.81) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL14021744 0.88 CYSLTR1 (0.79) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL25244522 0.88 CYSLTR1 (0.81) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL30443831 0.88 CYSLTR1 (0.81) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8646512 0.88 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL30444024 0.86 CYSLTR1 (0.77) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL25212445 0.86 CYSLTR1 (0.77) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8649544 0.85 FFAR1 (0.97) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL14021499 0.84 CYSLTR1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed