SCHEMBL7428272

SCHEMBL7428272

CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)O)ccc2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.60
NR1H4 Q96RI1 9/20 0.58
PPARA Q07869 1/20 0.56
SERPINE1 P05121 1/20 0.56
NPC1 O15118 2/20 0.54
HDAC2 Q92769 3/20 0.52
HDAC1 Q13547 2/20 0.51
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
HDAC3 O15379 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5226208 0.86 HDAC1 (0.70) PPARGNR1H4PPARANPC1HDAC2
SCHEMBL7302295 0.84 SERPINE1 (0.65) PPARGNR1H4SERPINE1NPC1HDAC2
SCHEMBL6107043 0.84 PPARG (0.64) PPARGNR1H4PPARASERPINE1NPC1
SCHEMBL6170145 0.82 HDAC1 (0.66) PPARGNR1H4PPARANPC1HDAC2
SCHEMBL1067039 0.81 MEN1 (0.76) NPC1HDAC2HDAC1ALDH1A1RAB9A
SCHEMBL6109346 0.81 SERPINE1 (0.77) PPARGNR1H4PPARASERPINE1NPC1
SCHEMBL5223727 0.80 PTGS1 (0.72) NR1H4NPC1HDAC2HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL6542790 0.80 NPC1 (0.58) PPARGNR1H4PPARASERPINE1NPC1
SCHEMBL5221185 0.78 MEN1 (0.84) PPARGNR1H4PPARASERPINE1NPC1
SCHEMBL5224928 0.78 MEN1 (0.84) PPARGNR1H4PPARASERPINE1NPC1

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-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed