SCHEMBL1079856

SCHEMBL1079856

CCC(Cc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.45
HTR1E P28566 3/20 0.40
S1PR3 Q99500 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.38
PTGS2 P35354 10/20 0.37
MAOB P27338 1/20 0.36
ACKR3 P25106 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
SCHEMBL3703465 0.93 PTGES (0.47) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL12872141 0.88 PTGES (0.50) PTGESHTR1ES1PR3MEN1LMNA
Bicarbonate SCHEMBL1080702 0.88 PTGES (0.48) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL12871669 0.87 PTGES (0.46) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1079129 0.87 PTGES (0.60) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1082236 0.87 ACKR3 (0.39) MAPTMAOBACKR3
SCHEMBL1177604 0.87 HTR1E (0.44) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1178961 0.86 PTGES (0.46) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1081661 0.86 PARP1 (0.45) PTGESLMNAMAPTMAOBACKR3
SCHEMBL12872122 0.86 PTGES (0.45) PTGESHTR1ES1PR3MEN1LMNA

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
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed