SCHEMBL6950806

SCHEMBL6950806

CC(C)c1ccccc1SC(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
POLB P06746 1/20 0.39
GABRB1 P18505 2/20 0.39
CYP3A4 P08684 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL28338961 0.84 LMNA (0.40) LMNAKMT2AGABRA1GABRB2POLB
SCHEMBL6953465 0.83 TSHR (0.49) KMT2APOLBTSHRGAAALDH1A1
SCHEMBL7366895 0.78 NLRP3 (0.45) LMNAKMT2APOLBHPGDTSHR
SCHEMBL8540433 0.77 TRPA1 (0.46) LMNASLC6A2HTR2BALDH1A1
SCHEMBL8534777 0.77 FABP3 (0.41) PTGS1HIF1AGAAPTGS2ALDH1A1
SCHEMBL6955616 0.77 POLB (0.41) POLBCA1CA2HPGDSLC6A2
SCHEMBL24499178 0.76 GABRA1 (0.44) LMNAKMT2AGABRA1GABRB2POLB
SCHEMBL6965774 0.74 POLB (0.46) KMT2AGABRA1GABRB2POLBALDH1A1
SCHEMBL6954167 0.74 GABRA1 (0.43) LMNAKMT2AGABRA1GABRB2POLB
SCHEMBL6965317 0.73 ALDH1A1 (0.42) KMT2APOLBHPGDTSHRGAA

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-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729466-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