SCHEMBL6092017

SCHEMBL6092017

O=C(O)Cn1cc(Cc2cccc(OCc3ccc4ccccc4n3)c2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.56
CYSLTR2 Q9NS75 8/20 0.56
GPBAR1 Q8TDU6 2/20 0.54
ALOX5 P09917 1/20 0.52
AKR1B1 P15121 2/20 0.47
AKR1A1 P14550 1/20 0.47
FFAR1 O14842 1/20 0.47

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
SCHEMBL8541189 0.90 AKR1B1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5AKR1B1
SCHEMBL8540638 0.80 ALOX5 (0.50) CYSLTR1CYSLTR2GPBAR1ALOX5AKR1B1
SCHEMBL9053241 0.77 CYSLTR1 (0.73) CYSLTR1CYSLTR2GPBAR1ALOX5AKR1B1
SCHEMBL8543204 0.77 FFAR1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5AKR1B1
SCHEMBL9140671 0.75 LTB4R (0.57) CYSLTR1CYSLTR2ALOX5AKR1B1FFAR1
SCHEMBL9656045 0.75 CYSLTR1 (0.85) CYSLTR1CYSLTR2GPBAR1ALOX5AKR1B1
SCHEMBL6088484 0.74 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9701519 0.74 KMT2A (0.60) ALOX5AKR1B1AKR1A1
SCHEMBL8538426 0.73 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7716691 0.73 CYSLTR1 (0.88) CYSLTR1CYSLTR2GPBAR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed