SCHEMBL4728709

SCHEMBL4728709

CCCCOC(=O)N[C@@H](Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
MGLL Q99685 2/20 0.46
SSTR3 P32745 1/20 0.45
CTSL P07711 2/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL5954165 0.96 MEN1 (0.50) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL3821974 0.96 MEN1 (0.50) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL909810 0.87 CA2 (0.51) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL909808 0.87 CA2 (0.51) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL8002622 0.85 LMNA (0.48) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL7162407 0.84 MGLL (0.51) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL7162403 0.84 MGLL (0.51) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL4080957 0.84 PPARG (0.53) MAPTCTSLPPARG
SCHEMBL8021733 0.84 MEN1 (0.47) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL13902124 0.84 PPARG (0.53) MAPTCTSLPPARG

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-2008029217-A2 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed