SCHEMBL4969320

SCHEMBL4969320

CC(NC(=O)OC(C)(C)C)C(c1ccc(C(F)(F)F)cc1)N(C(=O)OC(C)(C)C)c1ncc(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CPB2 Q96IY4 1/20 0.33
TRPA1 O75762 1/20 0.32
FFAR2 O15552 1/20 0.32
S1PR3 Q99500 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PDE2A O00408 2/20 0.31
ELANE P08246 1/20 0.31
PDPK1 O15530 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
P2RY2 P41231 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL4967775 0.89 USP30 (0.36) USP30TRPA1FFAR2S1PR3AAK1
SCHEMBL4968016 0.83 USP30 (0.36) USP30TRPM8CPB2FFAR2PDE2A
SCHEMBL4970661 0.82 PPARG (0.32) PPARGPPARATRPA1AAK1PDE2A
SCHEMBL2544470 0.78 PPARG (0.35) TRPM8PPARGPPARACPB2FFAR2
SCHEMBL2546509 0.77 PPARG (0.35) TRPM8PPARGPPARACPB2P2RY2
SCHEMBL1744190 0.76 PPARG (0.32) TRPM8PPARGPPARACPB2
SCHEMBL4303579 0.75 PPARG (0.39) PPARGPPARAFFAR2AAK1
SCHEMBL4303581 0.75 PPARG (0.39) PPARGPPARAFFAR2AAK1
SCHEMBL1742112 0.75 PPARG (0.39) TRPM8PPARGPPARATRPA1S1PR3
SCHEMBL2544478 0.74 PPARG (0.36) TRPM8PPARGPPARAFFAR2S1PR3

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
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed