SCHEMBL15095203

SCHEMBL15095203

CCN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.51
ACHE P22303 3/20 0.51
SSTR4 P31391 3/20 0.47
SSTR5 P35346 3/20 0.47
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSK P43235 3/20 0.39
LMNA P02545 1/20 0.37
CTSV O60911 1/20 0.37
CTSS P25774 1/20 0.37
CTSC P53634 1/20 0.37
CTSF Q9UBX1 1/20 0.37
TSHR P16473 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL15721150 0.91 SSTR4 (0.49) BCHEACHESSTR4SSTR5CTSL
SCHEMBL19575247 0.89 SSTR4 (0.50) BCHEACHESSTR4SSTR5LMNA
SCHEMBL20577640 0.89 SSTR4 (0.50) BCHEACHESSTR4SSTR5LMNA
SCHEMBL15721092 0.89 SSTR4 (0.50) BCHEACHESSTR4SSTR5LMNA
SCHEMBL4621769 0.89 SSTR4 (0.50) BCHEACHESSTR4SSTR5LMNA
SCHEMBL15721070 0.88 BCHE (0.53) BCHEACHESSTR4SSTR5
SCHEMBL15721107 0.88 BCHE (0.45) BCHEACHESSTR4SSTR5CTSL
SCHEMBL17243612 0.88 SSTR4 (0.49) BCHEACHESSTR4SSTR5PDE4D
SCHEMBL15721124 0.87 BCHE (0.50) BCHEACHESSTR4SSTR5CTSL
SCHEMBL15721072 0.87 SSTR4 (0.55) BCHEACHESSTR4SSTR5CTSL

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-8481571-B2 Anti-coronavirus compounds ACADEMIA SINICA (TW) 2013-07-09 US disclosed