SCHEMBL1648161

SCHEMBL1648161

CC(C)(C)N(C(=O)O)c1ccc(Br)cc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
C5AR1 P21730 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 2/20 0.33
CCR9 P51686 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 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
SCHEMBL1648158 0.87 ALAD (0.37) ALDH1A1SMN1; SMN2MCL1L3MBTL1
SCHEMBL2191688 0.86 RAB9A (0.37) PTGDR2C5AR1KDM4EGLAALDH1A1
SCHEMBL57513 0.85 DGAT1 (0.41) PTGDR2ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL5655847 0.82 PTGDR2 (0.38) PTGDR2KDM4EALDH1A1POLBMAPT
SCHEMBL652038 0.80 HCAR3 (0.44) KDM4EGLAALDH1A1MAPTMEN1
SCHEMBL652037 0.80 HCAR3 (0.44) KDM4EGLAALDH1A1MAPTMEN1
SCHEMBL5657840 0.79 PTGDR2 (0.42) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16594120 0.76 KMT2A (0.42) KDM4EALDH1A1POLBMAPTMEN1
SCHEMBL28885935 0.75 PTGDR2 (0.34) PTGDR2C5AR1KDM4EGLAALDH1A1
SCHEMBL16400629 0.75 NCEH1 (0.43) PTGDR2KDM4EALDH1A1MAPTMEN1

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-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed