SCHEMBL3703465

SCHEMBL3703465

CCC(CCc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.47
PTGS2 P35354 10/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTR1E P28566 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR3 Q99500 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL1079856 0.93 PTGES (0.45) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL1079129 0.89 PTGES (0.60) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL1193765 0.87 PTGES (0.55) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL12872141 0.87 PTGES (0.50) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL1079858 0.87 PTGES (0.50) PTGESPTGS2MEN1LMNAHTR1E
Bicarbonate SCHEMBL1080702 0.86 PTGES (0.48) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL12871669 0.86 PTGES (0.46) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL1178602 0.86 PTGES (0.47) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL1177604 0.86 HTR1E (0.44) PTGESPTGS2MEN1LMNAHTR1E
SCHEMBL1178961 0.85 PTGES (0.46) PTGESPTGS2MEN1LMNAHTR1E

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 1 patent. 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