SCHEMBL5211440

SCHEMBL5211440

O=C(O)OC1CCN(C(=O)c2cc(C(=O)O)ccc2OCCCc2ccc(OCCCC3CCCCC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.50
HRH3 Q9Y5N1 3/20 0.41
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
HPGD P15428 1/20 0.37
NAAA Q02083 1/20 0.36
SCN9A Q15858 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL4521187 0.90 CYSLTR2 (0.55) CYSLTR2HRH3ITGB3ITGA2BPTGES
SCHEMBL5209887 0.90 CYSLTR2 (0.56) CYSLTR2HPGDSCN9A
SCHEMBL5155579 0.87 CYSLTR2 (0.44) CYSLTR2HRH3ITGB3ITGA2BPTGES
SCHEMBL13918423 0.87 CYSLTR2 (0.55) CYSLTR2HRH3PTGESALOX5KMT2A
SCHEMBL5208674 0.86 CYSLTR2 (0.43) CYSLTR2HRH3MEN1KMT2AHPGD
SCHEMBL4508597 0.85 CYSLTR2 (0.49) CYSLTR2HRH3ITGB3ITGA2BPTGES
SCHEMBL13918435 0.85 CYSLTR2 (0.48) CYSLTR2HRH3ITGB3ITGA2BPTGES
SCHEMBL5206606 0.84 CYSLTR2 (0.47) CYSLTR2PTGESALOX5SCN9A
SCHEMBL13918351 0.82 CYSLTR2 (0.68) CYSLTR2HRH3MEN1KMT2AHPGD
SCHEMBL5207067 0.81 CYSLTR2 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP claimed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP claimed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO claimed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed