SCHEMBL7447935

SCHEMBL7447935

CC(C)Cc1ccccc1Oc1ccc(NNC(=O)c2csc(-c3ccccc3OCc3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.44
PTGER4 P35408 5/20 0.42
PTGER3 P43115 5/20 0.42
PTGER2 P43116 5/20 0.42
TLR7 Q9NYK1 3/20 0.40
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
SHMT2 P34897 2/20 0.36
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
PTPN1 P18031 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL7450591 0.88 PTGER1 (0.51) PTGER1TLR7RAB9AALDH1A1LMNA
SCHEMBL7449280 0.86 PTGER1 (0.53) PTGER1TLR7RAB9AALDH1A1LMNA
SCHEMBL7447932 0.85 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7607568 0.84 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7444720 0.83 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7449173 0.79 PTGER1 (0.51) PTGER1TLR7ALDH1A1LMNAMAPT
SCHEMBL7442407 0.78 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7447783 0.78 PTGER1 (0.49) PTGER1TLR7GALR3
SCHEMBL7449102 0.76 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7446264 0.76 TLR7 (0.50) PTGER1PTGER4PTGER3PTGER2TLR7

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 disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed