SCHEMBL30251768

SCHEMBL30251768

C=C[C@H](O)[C@H]1O[C@H](OC)[C@@H](OCc2ccccc2)[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.52
GSTP1 P09211 5/20 0.41
GSTA2 P09210 3/20 0.39
GSTM1 P09488 3/20 0.39
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
HTT P42858 3/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 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
SCHEMBL31404499 1.00 BCHE (0.52) BCHEGSTP1GSTA2GSTM1SSTR1
SCHEMBL14094693 0.76 GSTP1 (0.51) BCHEGSTP1GSTA2GSTM1SSTR1
SCHEMBL5017349 0.76 GSTP1 (0.51) BCHEGSTP1GSTA2GSTM1SSTR1
SCHEMBL15132617 0.73 GSTP1 (0.48) BCHEGSTP1GSTA2GSTM1SSTR1
SCHEMBL7149762 0.70 SSTR1 (0.42) BCHEGSTP1SSTR1SSTR2SSTR4
SCHEMBL8062413 0.70 SSTR1 (0.45) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL7152284 0.69 SSTR1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL7156237 0.69 SSTR1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL7151934 0.69 SSTR1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3
SCHEMBL7153007 0.69 SSTR1 (0.46) BCHESSTR1SSTR2SSTR4SSTR3

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-4392431-A1 NUCLEOSIDE-DIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2024-07-03 EP disclosed
WO-2023051675-A1 NUCLEOSIDE-DIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2023-04-06 WO disclosed