SCHEMBL6965383

SCHEMBL6965383

CCc1ccsc1C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PLA2G4A P47712 1/20 0.32
RIPK1 Q13546 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CES1 P23141 1/20 0.31
ABCC1 P33527 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL11082473 0.74 RIPK1 (0.37) LTB4RKMT2AMEN1CYP1A2RIPK1
SCHEMBL1709288 0.72 GABRA1 (0.34) LTB4RGABRA1GABRB2RIPK1
SCHEMBL12322155 0.71 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL20890576 0.69 GABRA1 (0.32) LTB4RGABRA1GABRB2
Carbamic Acid SCHEMBL9006901 0.68 ALOX5 (0.42) LTB4RKMT2AMEN1CYP1A2RIPK1
SCHEMBL4600787 0.68 PTGDR2 (0.41) LTB4RKMT2AMEN1TP53ALOX15
SCHEMBL2964988 0.68 GABRA1 (0.45) CYP1A2GABRA1GABRB2RIPK1
SCHEMBL11489737 0.67 PGR (0.39) RIPK1
SCHEMBL2065269 0.67 ABCC1 (0.50) KMT2AMEN1ABCC1MAPK1LMNA
Carbamic Acid SCHEMBL10511096 0.67 ALOX5 (0.41) LTB4RKMT2AMEN1CYP1A2RIPK1

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