SCHEMBL7447783

SCHEMBL7447783

O=C(NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
TLR7 Q9NYK1 8/20 0.47
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
EZH2 Q15910 1/20 0.42
HPGD P15428 1/20 0.42
GALR3 O60755 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL7443767 0.94 PTGER1 (0.51) PTGER1TLR7HDAC1HDAC3HDAC7
SCHEMBL7447138 0.92 PTGER1 (0.54) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7503159 0.89 MAPT (0.51) PTGER1TLR7HDAC1HDAC3HDAC7
SCHEMBL7450591 0.89 PTGER1 (0.51) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7452183 0.87 SMPD1 (0.54) PTGER1TLR7
SCHEMBL7448062 0.86 TLR7 (0.48) PTGER1TLR7HDAC1HDAC3HDAC7
SCHEMBL7447425 0.84 NPC1 (0.52) PTGER1TLR7
SCHEMBL7448607 0.84 PTGER1 (0.46) PTGER1TLR7HDAC1HDAC8HDAC6
SCHEMBL7450001 0.84 SCD (0.53) PTGER1TLR7HPGD
SCHEMBL6983082 0.82 PTGER1 (0.56) PTGER1TLR7HDAC1HDAC3HDAC7

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
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP claimed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed