SCHEMBL14969145

SCHEMBL14969145

CN(Cc1ccc(Cl)c(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLS O94925 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HSP90AA1 P07900 4/20 0.39
LMNA P02545 1/20 0.38
RIPK1 Q13546 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL14969499 0.87 CYP4F2 (0.44) HTR2CSLC6A4ALDH1A1GLSCYP4F2
SCHEMBL7936706 0.85 HTR2C (0.42) HTR2CSLC6A4GLSRIPK1KMT2A
SCHEMBL30952689 0.85 HTR2C (0.42) HTR2CSLC6A4GLSRIPK1KMT2A
SCHEMBL297071 0.84 ALDH1A1 (0.51) HTR2CSLC6A4ALDH1A1GLSMEN1
SCHEMBL3109559 0.84 HTR2C (0.41) HTR2CSLC6A4GLSRIPK1MEN1
SCHEMBL4180366 0.83 HTR2C (0.42) HTR2CSLC6A4ALDH1A1GLSCYP4F2
SCHEMBL3108959 0.83 NR1H4 (0.45) HTR2CSLC6A4GLSCYP4F2CYP4A11
SCHEMBL3110201 0.82 GLS (0.43) HTR2CSLC6A4ALDH1A1GLSHSP90AA1
SCHEMBL3116212 0.82 LTA4H (0.42) HTR2CSLC6A4GLSRIPK1NPC1
SCHEMBL3085983 0.82 SLC6A4 (0.41) HTR2CSLC6A4ALDH1A1GLSHSP90AA1

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
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed