SCHEMBL13660747

SCHEMBL13660747

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.51
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 5/20 0.40
HRH3 Q9Y5N1 1/20 0.40
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL7601086 0.89 PTGES (0.54) PTGESKMT2ASMN1; SMN2PGRPOLB
SCHEMBL1079858 0.88 PTGES (0.50) PTGESKMT2AMEN1PTGS2LMNA
SCHEMBL7605856 0.87 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2PGRPOLBMEN1
SCHEMBL1178602 0.84 PTGES (0.47) PTGESKMT2AMEN1PTGS2LMNA
SCHEMBL12872074 0.84 PTGES (0.43) PTGESKMT2ASMN1; SMN2PGRPOLB
SCHEMBL7601830 0.83 PTGES (0.46) PTGESKMT2ASMN1; SMN2PGRPOLB
SCHEMBL7601815 0.82 KMT2A (0.44) PTGESKMT2ASMN1; SMN2PGRMEN1
SCHEMBL7601944 0.82 KMT2A (0.42) PTGESKMT2ASMN1; SMN2PGRMEN1
SCHEMBL7601831 0.82 PTGES (0.46) PTGESKMT2ASMN1; SMN2PGRPOLB
SCHEMBL7606055 0.81 KMT2A (0.43) PTGESKMT2ASMN1; SMN2PGRMEN1

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
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed