SCHEMBL7367288

SCHEMBL7367288

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
TGFBR1 P36897 2/20 0.38
HTR6 P50406 6/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
MAP1LC3A Q9H492 1/20 0.37
IKBKB O14920 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
POLB P06746 1/20 0.35
PDE4B Q07343 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GHSR Q92847 1/20 0.34
FABP4 P15090 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
UQCRB P14927 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL7367450 0.92 HTR6 (0.38) PTGESTGFBR1HTR6MAP1LC3BMAP1LC3A
SCHEMBL8539904 0.92 GHSR (0.37) TGFBR1MAP1LC3BMAP1LC3APOLBALDH1A1
SCHEMBL7368440 0.90 PTGES (0.37) PTGESTGFBR1HTR6MAP1LC3BMAP1LC3A
SCHEMBL7371141 0.87 TGFBR1 (0.38) PTGESTGFBR1HTR6IKBKBPOLB
SCHEMBL7407674 0.86 HTR6 (0.37) PTGESTGFBR1HTR6MAP1LC3BMAP1LC3A
SCHEMBL7378472 0.85 TGFBR1 (0.36) PTGESTGFBR1HTR6MAP1LC3BMAP1LC3A
SCHEMBL7407485 0.85 CYP2C9 (0.34) ALDH1A1
SCHEMBL8539266 0.84 HDAC8 (0.37) TGFBR1HTR6MAP1LC3BMAP1LC3APOLB
SCHEMBL6173713 0.82 PTGES (0.38) PTGESHTR6MAP1LC3BMAP1LC3ACTSD
Ethane SCHEMBL7480930 0.81 POLB (0.39) PTGESTGFBR1HTR6MAP1LC3BMAP1LC3A

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 7 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
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed