SCHEMBL5155579

SCHEMBL5155579

O=C(O)OC1CCN(C(=O)Cc2cc(C(=O)O)ccc2OCCCc2ccc(OCCCC3CCCCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.44
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
NMT2 O60551 3/20 0.36
NMT1 P30419 3/20 0.36
MEN1 O00255 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL5124864 0.90 CYSLTR2 (0.48) CYSLTR2HRH3KMT2AITGB3ITGA2B
SCHEMBL5211440 0.87 CYSLTR2 (0.50) CYSLTR2HRH3KMT2AITGB3ITGA2B
SCHEMBL5155162 0.84 CYSLTR2 (0.54) CYSLTR2HRH3KMT2AMEN1PLA2G2D
SCHEMBL5173022 0.84 NMT2 (0.39) CYSLTR2HRH3KMT2ANMT2NMT1
SCHEMBL5152416 0.83 CYSLTR2 (0.52) CYSLTR2HRH3KMT2AMEN1
SCHEMBL5151988 0.83 YAP1 (0.38) CYSLTR2KMT2AMEN1PLA2G2D
SCHEMBL14131825 0.82 CYSLTR2 (0.60) CYSLTR2HRH3KMT2AMEN1
SCHEMBL5117054 0.79 CYSLTR2 (0.46) CYSLTR2HRH3KMT2AITGB3ITGA2B
SCHEMBL5115310 0.79 ALDH1A1 (0.44) HRH3KMT2ANMT2NMT1MEN1
SCHEMBL5114501 0.79 CYSLTR2 (0.48) CYSLTR2ITGB3ITGA2BPTGESALOX5

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