SCHEMBL794862

SCHEMBL794862

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2ccc(=S)[nH]c2=O)[C@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31
P2RY6 Q15077 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9221120 0.90 NT5E (0.36) P2RY2P2RY4P2RY6POLB
SCHEMBL6256517 0.90 NT5E (0.36) P2RY2P2RY4P2RY6POLB
SCHEMBL9223581 0.81 RNASE1 (0.44) ALDH1A1POLB
SCHEMBL5080723 0.81 LMNA (0.36) P2RY6MAPT
SCHEMBL2014365 0.80 CYP3A4 (0.38) P2RY2P2RY4POLB
SCHEMBL20822313 0.80 CYP3A4 (0.38) P2RY2P2RY4POLB
SCHEMBL5610629 0.80 RNASE1 (0.32) P2RY2
SCHEMBL8367093 0.79 SMN1; SMN2 (0.33)
SCHEMBL4890432 0.78 ALDH1A1 (0.32) ALDH1A1POLBMAPT
SCHEMBL9237423 0.78 ABL1 (0.31) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2787999-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL DISEASES The Board of Trustees of The Leland Stanford Junior University (US) 2014-10-15 EP disclosed
WO-2013086133-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL DISEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-06-13 WO disclosed
EP-2491033-A2 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION Eiger Biopharmaceuticals, Inc. (US) 2012-08-29 EP disclosed
WO-2012037485-A2 METHODS OF INHIBITING ALPHAVIRUS REPLICATION AND TREATING ALPHAVIRUS INFECTION 1THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 WO disclosed
WO-2011049987-A2 AZAINDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed
WO-2011049988-A2 INDAZOLES TO TREAT FLAVIVIRIDAE VIRUS INFECTION EIGER BIOPHARMACEUTICALS, INC. (US) 2011-04-28 WO disclosed