SCHEMBL7368440

SCHEMBL7368440

CCC(CC)(Cc1ccccc1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
HTR6 P50406 6/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
TGFBR1 P36897 1/20 0.35
FABP4 P15090 1/20 0.35
CTSD P07339 2/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
POLB P06746 1/20 0.34
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
PGA5 P0DJD9 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL7407674 0.92 HTR6 (0.37) PTGESHTR6MAP1LC3BMAP1LC3ATGFBR1
SCHEMBL7367288 0.90 PTGES (0.38) PTGESHTR6MAP1LC3BMAP1LC3ATGFBR1
SCHEMBL7378472 0.87 TGFBR1 (0.36) PTGESHTR6MAP1LC3BMAP1LC3ATGFBR1
SCHEMBL7367450 0.86 HTR6 (0.38) PTGESHTR6MAP1LC3BMAP1LC3ATGFBR1
SCHEMBL7371322 0.85 CYP2C9 (0.34) BACE1OPRD1
SCHEMBL7371141 0.84 TGFBR1 (0.38) PTGESHTR6TGFBR1FABP4HSD17B1
SCHEMBL8534806 0.84 HDAC8 (0.36) HTR6MAP1LC3BMAP1LC3ATGFBR1FABP4
SCHEMBL6173713 0.82 PTGES (0.38) PTGESHTR6MAP1LC3BMAP1LC3ACTSD
SCHEMBL8539904 0.82 GHSR (0.37) MAP1LC3BMAP1LC3ATGFBR1FABP4POLB
SCHEMBL7441063 0.80 KCNK3 (0.36) PTGESHTR6MAP1LC3BMAP1LC3ATGFBR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP claimed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO claimed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed