SCHEMBL7453282

SCHEMBL7453282

COCc1cc(OCc2ccccc2)ccc1C(=O)NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.46
TLR7 Q9NYK1 8/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAOB P27338 1/20 0.40
NOX1 Q9Y5S8 1/20 0.39
PTGER4 P35408 3/20 0.39
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39

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
SCHEMBL7445698 0.91 PTGER1 (0.45) PTGER1TLR7HDAC3HDAC1HDAC7
SCHEMBL7449362 0.88 PTGER1 (0.44) PTGER1TLR7MAOBPTGER4PTGER3
SCHEMBL7453775 0.86 PTGER1 (0.48) PTGER1TLR7HDAC3HDAC1HDAC7
SCHEMBL7446264 0.84 TLR7 (0.50) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7444720 0.84 PTGER1 (0.43) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7448360 0.83 TLR7 (0.50) PTGER1TLR7NPC1RAB9ASMN1; SMN2
SCHEMBL7443767 0.82 PTGER1 (0.51) PTGER1TLR7HDAC3HDAC1HDAC7
SCHEMBL7449277 0.81 PTGER1 (0.47) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7452183 0.81 SMPD1 (0.54) PTGER1TLR7MAOBSMN1; SMN2
SCHEMBL7448167 0.81 PTGER1 (0.50) PTGER1TLR7NPC1GAASMN1; SMN2

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-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