SCHEMBL6965136

SCHEMBL6965136

O=C(O)C(Sc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6686346 0.81 EPHX1 (0.45) LMNAMAPK1POLBHSD17B10CYP2C19
SCHEMBL3205527 0.79 TDP1 (0.48) LMNAMAPK1POLBHSD17B10CYP2C9
SCHEMBL6959322 0.79 EPHX1 (0.57) MAPT
SCHEMBL8432279 0.79 SMN1; SMN2 (0.43) LMNAMAPK1POLBSMN1; SMN2PKM
SCHEMBL74368 0.78 LMNA (0.44) LMNAMAPK1POLBHSD17B10CYP2C9
SCHEMBL4552643 0.78 LMNA (0.44) LMNAMAPK1POLBHSD17B10CYP2C9
SCHEMBL6958711 0.78 CYP2C9 (0.43) LMNAHSD17B10CYP2C9CYP2C19HPGD
SCHEMBL6960077 0.78 KIF11 (0.40) LMNAPOLBHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL8340018 0.76 LMNA (0.43) LMNAMAPK1POLBHSD17B10CYP2C9
SCHEMBL1931354 0.76 KDM4E (0.51) LMNAHSD17B10SMN1; SMN2L3MBTL1ALDH1A1

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-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 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