SCHEMBL6966115

SCHEMBL6966115

CCCc1ccccc1SC(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PPARA Q07869 7/20 0.42
PPARG P37231 6/20 0.42
CYSLTR2 Q9NS75 5/20 0.38
CYSLTR1 Q9Y271 5/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KIF11 P52732 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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 0.88 POLB (0.46) POLBKMT2AL3MBTL1KIF11
SCHEMBL6954167 0.80 GABRA1 (0.43) POLBKMT2A
SCHEMBL6958667 0.74 GRIK1 (0.37) POLBKMT2A
SCHEMBL10585673 0.74 CA12 (0.50) PPARAPPARGKMT2AL3MBTL1CES2
SCHEMBL6955616 0.73 POLB (0.41) POLBL3MBTL1CA12CA9
SCHEMBL28340637 0.72 POLB (0.45) POLBPPARAPPARGKMT2AL3MBTL1
SCHEMBL8538793 0.72 CETP (0.41) POLBCYSLTR2CYSLTR1KMT2AL3MBTL1
SCHEMBL6953465 0.72 TSHR (0.49) POLBPPARACYSLTR2CYSLTR1KMT2A
SCHEMBL8535828 0.72 BACE1 (0.45) POLBL3MBTL1
SCHEMBL943257 0.72 APOBEC3G (0.54) KMT2A

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 3 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