SCHEMBL8740689

SCHEMBL8740689

CC(=O)C(O)[C@H]1O[C@H](Oc2cccc(Cc3cccc(C(=O)O)c3)c2)[C@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.35
NR4A2 P43354 1/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEP1B Q16820 1/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL9789419 0.82
SCHEMBL8328045 0.73
SCHEMBL9095184 0.72
SCHEMBL2416834 0.71 PDPK1 (0.33)
SCHEMBL14895328 0.70 EPHX1 (0.35) RAB9ACA1CA2
SCHEMBL6514723 0.70 SLC5A2 (0.38)
SCHEMBL9093991 0.69
SCHEMBL9175639 0.69
SCHEMBL18259481 0.68
SCHEMBL9084446 0.68 IDO1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 EP disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 WO disclosed