SCHEMBL7447932

SCHEMBL7447932

CC(C)Cc1cc(Oc2ccccc2)ccc1NNC(=O)c1csc(-c2ccccc2OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.43
PTGER4 P35408 6/20 0.41
PTGER3 P43115 6/20 0.41
PTGER2 P43116 6/20 0.41
TLR7 Q9NYK1 4/20 0.39
CHEK1 O14757 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.35
SHMT2 P34897 2/20 0.35

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
SCHEMBL7444720 0.89 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7442407 0.86 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7447935 0.85 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7450591 0.83 PTGER1 (0.51) PTGER1TLR7CHEK1LMNA
SCHEMBL7452683 0.80 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7447783 0.80 PTGER1 (0.49) PTGER1TLR7
SCHEMBL7449102 0.79 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7449173 0.77 PTGER1 (0.51) PTGER1TLR7CTSLLMNA
SCHEMBL7449446 0.77 PTGER1 (0.45) PTGER1PTGER4PTGER3PTGER2TLR7
SCHEMBL7449362 0.77 PTGER1 (0.44) 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