SCHEMBL14979282

SCHEMBL14979282

Cc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.46
NAMPT P43490 2/20 0.44
GAA P10253 1/20 0.44
KDM4A O75164 1/20 0.44
TSHR P16473 2/20 0.43
EPHX2 P34913 1/20 0.43
GRM2 Q14416 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLS O94925 1/20 0.42
PTGES O14684 1/20 0.42
BRD4 O60885 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL30901987 1.00 NR1H4 (0.50) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL3897985 0.90 NR1H4 (0.62) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL31019193 0.90 NR1H4 (0.62) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL30910306 0.90 NR1H4 (0.48) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL1205128 0.90 NR1H4 (0.48) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL8417822 0.87 HDAC1 (0.53) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL7930745 0.87 TSHR (0.46) L3MBTL1HDAC1NAMPTGAAKDM4A
SCHEMBL30965061 0.87 TSHR (0.46) L3MBTL1HDAC1NAMPTGAAKDM4A
SCHEMBL474132 0.86 ALDH1A1 (0.53) NR1H4L3MBTL1HDAC1NAMPTGAA
SCHEMBL16415399 0.86 HDAC1 (0.47) NR1H4L3MBTL1HDAC1NAMPTGAA

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