SCHEMBL5155332

SCHEMBL5155332

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(CC(=O)N2CC(OC(=O)OC)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.45
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
NMT2 O60551 3/20 0.34
NMT1 P30419 3/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
ALOX15 P16050 1/20 0.33
FKBP1A P62942 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
SCHEMBL5158015 0.94 CYSLTR2 (0.45) CYSLTR2TDP1KCNH2HRH3HRH2
SCHEMBL5118730 0.91 CYSLTR2 (0.48) CYSLTR2TDP1KCNH2HRH3HRH2
SCHEMBL5174823 0.91 CYSLTR2 (0.43) CYSLTR2TDP1KCNH2HRH3HRH2
SCHEMBL5111128 0.87 CYSLTR2 (0.47) CYSLTR2TDP1HRH3HRH2HRH1
SCHEMBL5113803 0.86 POLB (0.48) CYSLTR2
SCHEMBL5173022 0.85 NMT2 (0.39) CYSLTR2TDP1KCNH2HRH3HRH2
SCHEMBL5125642 0.85 CYSLTR2 (0.52) CYSLTR2KCNH2HRH3PPARGPPARA
SCHEMBL5155162 0.84 CYSLTR2 (0.54) CYSLTR2HRH3PPARGPPARA
SCHEMBL5126529 0.82 CYSLTR2 (0.47) CYSLTR2TDP1KCNH2HRH3PPARG
SCHEMBL5111825 0.82 CYSLTR2 (0.48) CYSLTR2

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
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO disclosed