SCHEMBL7602940

SCHEMBL7602940

C=C(O)C1(Cc2cccc(NC(=O)C(c3ccc(CN4Cc5ccccc5C4=O)cc3)C3CCCC3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
HTR1E P28566 3/20 0.42
S1PR3 Q99500 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
PTGES O14684 1/20 0.42
HTT P42858 1/20 0.40
ACHE P22303 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 1/20 0.38
THRB P10828 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPY1R P25929 1/20 0.36
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
ATG4B Q9Y4P1 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
SCHEMBL12872196 0.95 MAPT (0.44) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL3704665 0.95 MAPT (0.44) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL7602933 0.91 PTGES (0.41) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL7602091 0.89 PTGES (0.41) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL7601899 0.89 PTGES (0.41) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL7601102 0.89 PTGES (0.39) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL1178034 0.88 PTGES (0.38) MAPTHTR1ES1PR3MEN1KMT2A
SCHEMBL1178149 0.88 PTGES (0.38) MAPTHTR1ES1PR3MEN1KMT2A
Bicarbonate SCHEMBL3697242 0.86 MAPT (0.46) MAPTHTR1ES1PR3MEN1KMT2A
Bicarbonate SCHEMBL3704666 0.86 MAPT (0.46) MAPTHTR1ES1PR3MEN1KMT2A

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