SCHEMBL7601086

SCHEMBL7601086

C=C(O)CCc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)CCC3=O)cc2)C2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.54
KMT2A Q03164 4/20 0.46
PGR P06401 1/20 0.43
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
HTR1E P28566 2/20 0.42
S1PR3 Q99500 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
C3AR1 Q16581 3/20 0.38
THRB P10828 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL7602080 0.90 PTGES (0.43) PTGESKMT2APGRMEN1LMNA
SCHEMBL13660747 0.89 PTGES (0.51) PTGESKMT2APGRMEN1LMNA
SCHEMBL7601830 0.88 PTGES (0.46) PTGESKMT2APGRMEN1LMNA
SCHEMBL7601831 0.88 PTGES (0.46) PTGESKMT2APGRMEN1LMNA
SCHEMBL7601815 0.84 KMT2A (0.44) PTGESKMT2APGRMEN1LMNA
SCHEMBL7606055 0.82 KMT2A (0.43) PTGESKMT2APGRMEN1LMNA
SCHEMBL7606114 0.82 SMN1; SMN2 (0.44) PTGESKMT2APGRMEN1LMNA
SCHEMBL7601944 0.82 KMT2A (0.42) PTGESKMT2APGRMEN1LMNA
SCHEMBL12872074 0.81 PTGES (0.43) PTGESKMT2APGRMEN1LMNA
SCHEMBL1079129 0.81 PTGES (0.60) PTGESKMT2AMEN1LMNAHTR1E

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