SCHEMBL750363

SCHEMBL750363

C=C1CCN(C(=O)OC(C)(C)C)C1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
GHSR Q92847 8/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PTPN1 P18031 1/20 0.37
SCN4A P35499 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
ADORA1 P30542 1/20 0.34

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
SCHEMBL26695081 0.85 PTPN1 (0.41) PDE4BNR1H2NR1H3PTPN1SCN4A
SCHEMBL27630382 0.85 MEN1 (0.38) GHSRALDH1A1ADORA1
SCHEMBL31667836 0.85 MEN1 (0.38) GHSRALDH1A1ADORA1
SCHEMBL9699056 0.84 PDE4B (0.40) PDE4BGHSRNR1H2NR1H3PTPN1
SCHEMBL31667801 0.80 PDE4B (0.38) PDE4BGHSRNR1H2NR1H3PTPN1
SCHEMBL18084466 0.79 NR1H2 (0.45) PDE4BNR1H2NR1H3PTPN1SCN4A
SCHEMBL26981387 0.79 NR1H2 (0.45) PDE4BNR1H2NR1H3PTPN1SCN4A
SCHEMBL31482666 0.79 NR1H2 (0.45) PDE4BNR1H2NR1H3PTPN1SCN4A
SCHEMBL22820950 0.78 NPC1 (0.38) NR1H2NPC1
SCHEMBL4147539 0.78 NPC1 (0.39) NR1H2NR1H3PTPN1SCN4ANPC1

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed