SCHEMBL22091998

SCHEMBL22091998

CNC(=O)c1ccc(C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.39
PPARA Q07869 9/20 0.36
PPARG P37231 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LDHA P00338 1/20 0.34
PTPN1 P18031 1/20 0.34
PPARD Q03181 2/20 0.33

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
SCHEMBL22092000 1.00 FABP5 (0.39) FABP5PPARAPPARGALDH1A1MEN1
SCHEMBL29633725 0.89 FABP5 (0.41) FABP5PPARAPPARGALDH1A1MEN1
SCHEMBL29633974 0.84 FABP5 (0.36) FABP5PPARAALDH1A1MEN1HPGD
SCHEMBL29633842 0.83 PPARA (0.44) FABP5PPARAPPARGPPARD
SCHEMBL22091956 0.82 FABP5 (0.39) FABP5PPARAPPARGALDH1A1MEN1
SCHEMBL22091955 0.82 FABP5 (0.39) FABP5PPARAPPARGALDH1A1MEN1
SCHEMBL11897146 0.81 PPARG (0.39) FABP5PPARAPPARGKMT2A
SCHEMBL29876008 0.81 PPARG (0.39) FABP5PPARAPPARGKMT2A
SCHEMBL28823317 0.81 PPARG (0.39) FABP5PPARAPPARGKMT2A
SCHEMBL22092190 0.80 PTPN1 (0.47) PTPN1

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-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 WO disclosed