SCHEMBL13627820

SCHEMBL13627820

COC(=O)C1CCN(C(=O)OC(C)(C)C)C1c1cc(N)ccc1[SH](=O)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
PTPN1 P18031 2/20 0.37
PDE4B Q07343 3/20 0.36
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN6 P29350 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL13628073 1.00 NR1H2 (0.43) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL13628062 1.00 NR1H2 (0.43) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL13628034 0.85 NR1H2 (0.37) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL13628497 0.85 MAPT (0.42) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL3077286 0.82 NR1H2 (0.41) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL2912061 0.82 NR1H2 (0.41) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL12219940 0.82 NR1H2 (0.41) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL4338373 0.82 NR1H2 (0.41) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL2913738 0.82 NR1H2 (0.41) NR1H2PTPN1PDE4BNR1H3ALDH1A1
SCHEMBL3083078 0.82 NR1H2 (0.41) NR1H2PTPN1PDE4BNR1H3ALDH1A1

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
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed