SCHEMBL5316769

SCHEMBL5316769

CN(CC(O)C(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
DPP4 P27487 1/20 0.32
HPGD P15428 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
RIPK1 Q13546 1/20 0.31
TET2 Q6N021 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
SCHEMBL3047422 0.78 TSHR (0.36) TSHRDPP4
SCHEMBL18625549 0.76 TSHR (0.37) TSHR
SCHEMBL1444834 0.76 DPP4 (0.39) DPP4HPGDRIPK1
SCHEMBL20501570 0.74 HPGD (0.35) DPP4HPGD
SCHEMBL20501432 0.73
SCHEMBL12891039 0.72 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL12712358 0.72 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL12712359 0.72 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL27836229 0.71
SCHEMBL16353786 0.71 TSHR (0.33) TSHR

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-2007081091-A1 RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 WO disclosed