SCHEMBL6958667

SCHEMBL6958667

O=C(O)C(Sc1ccccc1CC1CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
POLB P06746 3/20 0.35
PPM1D O15297 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CDC25B P30305 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL6965774 0.78 POLB (0.46) POLBKMT2A
SCHEMBL6963607 0.76 KMT2A (0.37) GRIK1PPM1DKMT2AMEN1CCR3
SCHEMBL6966115 0.74 POLB (0.43) POLBKMT2A
SCHEMBL6954167 0.74 GABRA1 (0.43) POLBKMT2A
SCHEMBL8535769 0.70 PTGDR2 (0.43) KCNH2
SCHEMBL547637 0.69 GRIK1 (0.58) GRIK1PPM1D
SCHEMBL11879801 0.69 AKR1B1 (0.53)
SCHEMBL3647579 0.69 GRIK1 (0.58) GRIK1PPM1D
SCHEMBL8540015 0.69 PTGDR2 (0.46) KMT2AMEN1
SCHEMBL6965848 0.68 NR4A1 (0.46) CDC25BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
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