SCHEMBL5801341

SCHEMBL5801341

CCCCCC(N)OC(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.41
HRH1 P35367 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
SLC2A1 P11166 1/20 0.39
POLB P06746 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PLA2G4B P0C869 1/20 0.35
PLA2G4A P47712 1/20 0.35

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
SCHEMBL2013987 0.82 MAPT (0.49) HRH2HRH1CA12CA1CA2
SCHEMBL2009205 0.77 SMN1; SMN2 (0.51) CA12CA1CA2CA9
SCHEMBL2014794 0.76 L3MBTL1 (0.40) HRH2HRH1L3MBTL1CA12CA1
SCHEMBL8377749 0.74 CA12 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL3604860 0.73 RAB9A (0.49) CA12CA1CA2CA9
SCHEMBL2013045 0.72 SMN1; SMN2 (0.49) L3MBTL1POLBPLA2G4B
SCHEMBL1295614 0.71 PLA2G4B (0.52) CA12CA1CA2CA9PLA2G4B
Methenamine SCHEMBL5801339 0.71 EPHX2 (0.48) HRH2HRH1CA12CA1CA2
SCHEMBL16215508 0.71 ALDH1A1 (0.55) L3MBTL1CA12CA1CA2CA9
SCHEMBL882755 0.69 HDAC1 (0.44) L3MBTL1CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed