SCHEMBL7449362

SCHEMBL7449362

CC(C)CCc1cc(OCc2ccccc2)ccc1C(=O)NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.44
TLR7 Q9NYK1 6/20 0.42
PTGER4 P35408 5/20 0.40
PTGER3 P43115 5/20 0.40
PTGER2 P43116 5/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PANK3 Q9H999 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7442407 0.89 PTGER1 (0.43) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7453282 0.88 PTGER1 (0.46) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7445698 0.86 PTGER1 (0.45) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7444720 0.86 PTGER1 (0.43) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7453775 0.83 PTGER1 (0.48) PTGER1TLR7
SCHEMBL7446264 0.81 TLR7 (0.50) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7449277 0.81 PTGER1 (0.47) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7443767 0.79 PTGER1 (0.51) PTGER1TLR7MAOBKDM4E
SCHEMBL7449236 0.79 PTGER1 (0.46) PTGER1TLR7PTGER4PTGER3PTGER2
SCHEMBL7452183 0.79 SMPD1 (0.54) PTGER1TLR7MAOB

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