SCHEMBL6092667

SCHEMBL6092667

COC(c1cccc(C)c1C(=O)O)c1cncn1Cc1ccc2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
CYSLTR1 Q9Y271 5/20 0.36
GPBAR1 Q8TDU6 3/20 0.36
CYP1A2 P05177 1/20 0.36
FAAH O00519 1/20 0.35
CYSLTR2 Q9NS75 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE10A Q9Y233 1/20 0.34
AKR1B1 P15121 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL6089628 0.81 CYSLTR1 (0.37) PTGDR2CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL6092671 0.77 CYSLTR1 (0.39) PTGDR2CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL6088877 0.69 CYP1A2 (0.36) PTGDR2CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL6089639 0.67 CYSLTR1 (0.41) PTGDR2CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL6090578 0.66 CYSLTR1 (0.58) CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL6089436 0.65 CYP11B1 (0.45) PTGDR2CYSLTR1GPBAR1CYP1A2FAAH
SCHEMBL6089645 0.65 CYSLTR1 (0.39) CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL4841446 0.64 CYSLTR1 (0.47) CYSLTR1GPBAR1CYP1A2CYSLTR2
SCHEMBL4848359 0.64 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10085682 0.64 HDAC3 (0.44) PTGDR2CYSLTR1GPBAR1CYP1A2FAAH

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