SCHEMBL1594480

SCHEMBL1594480

C[C@@H](O)[C@H](Cc1ccc(C(F)(F)F)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
EPHX2 P34913 1/20 0.40
SLC6A9 P48067 1/20 0.39
LSS P48449 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ACE P12821 2/20 0.38
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
MTOR P42345 1/20 0.38
SRD5A2 P31213 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL1594483 1.00 PPARG (0.40) PPARGPPARAEPHX2SLC6A9LSS
SCHEMBL532696 0.84 HPGD (0.45) SLC6A2SLC6A4MMEMEN1KMT2A
SCHEMBL640803 0.84 HPGD (0.45) SLC6A2SLC6A4MMEMEN1KMT2A
SCHEMBL531678 0.84 HPGD (0.45) SLC6A2SLC6A4MMEMEN1KMT2A
SCHEMBL531859 0.84 HPGD (0.45) SLC6A2SLC6A4MMEMEN1KMT2A
SCHEMBL5753177 0.83 NOS3 (0.39) PPARGPPARAEPHX2SLC6A9CES2
SCHEMBL18920594 0.80 MAOB (0.43) EPHX2SLC6A2SLC6A4ACEMEN1
SCHEMBL21144939 0.80 MAOB (0.43) EPHX2SLC6A2SLC6A4ACEMEN1
SCHEMBL5749557 0.78 FFAR2 (0.42) PPARGPPARASLC6A9CES2CES1
SCHEMBL5751305 0.78 PPARG (0.36) PPARGPPARASLC6A9

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
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed