SCHEMBL8348286

SCHEMBL8348286

O=C(OC[C@H]1O[C@H](OCCCO)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.51
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
F11 P03951 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TMPRSS2 O15393 1/20 0.47
PDE5A O76074 1/20 0.47
HMGCR P04035 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
HSPD1 P10809 1/20 0.47
CYP2C9 P11712 1/20 0.47
CA6 P23280 1/20 0.47
TBXAS1 P24557 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL8348283 1.00 PTPN1 (0.51) PTPN1USP2MEN1POLBKMT2A
SCHEMBL17850303 0.97 PTPN1 (0.50) PTPN1USP2MEN1POLBKMT2A
SCHEMBL19461180 0.97 PTPN1 (0.50) PTPN1USP2MEN1POLBKMT2A
SCHEMBL13250757 0.97 PTPN1 (0.50) PTPN1USP2MEN1POLBKMT2A
SCHEMBL26510429 0.96 PTPN1 (0.47) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18654363 0.95 PTPN1 (0.48) PTPN1USP2MEN1POLBKMT2A
SCHEMBL8350379 0.93 PTPN1 (0.53) PTPN1USP2MEN1POLBKMT2A
SCHEMBL8350378 0.93 PTPN1 (0.53) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18654362 0.90 PTPN1 (0.44) PTPN1USP2MEN1POLBKMT2A
SCHEMBL22946818 0.90 PTPN1 (0.50) PTPN1USP2MEN1POLBKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885968-A FOR HYPOLIPIDEMIC MEDICINES RIJKSUNIVERSITEIT TE LEIDEN (NL) 1999-03-23 US disclosed
EP-0655070-B1 TRIANTENNARY CLUSTER GLYCOSIDES, THEIR PREPARATION AND USE UNIV LEIDEN (NL) 1998-07-22 EP disclosed
EP-0655070-A1 TRIANTENNARY CLUSTER GLYCOSIDES, THEIR PREPARATION AND USE RIJKSUNIVERSITEIT LEIDEN (NL) 1995-05-31 EP disclosed
WO-1994004545-A1 TRIANTENNARY CLUSTER GLYCOSIDES, THEIR PREPARATION AND USE RIJKSUNIVERSITEIT LEIDEN (NL) 1994-03-03 WO disclosed