SCHEMBL7752131

SCHEMBL7752131

CCC(=O)c1cccoc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CA9 Q16790 2/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 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
SCHEMBL13990159 0.80 L3MBTL1 (0.52) TP53MAPTALDH1A1MAPK1HSP90AB1
SCHEMBL27642043 0.77 KMT2A (0.51) TP53GAARAB9AMAPTALDH1A1
SCHEMBL574955 0.77
SCHEMBL22014237 0.77 ADORA3 (0.44) NPC1TP53GAARAB9AMAPT
SCHEMBL27490700 0.77 TRPA1 (0.49) TP53GAAALDH1A1CES2CES1
SCHEMBL1137507 0.76 MAPK1 (0.55) NPC1TP53RAB9AMAPTALDH1A1
SCHEMBL259073 0.74 ALDH1A1 (0.52) NPC1RAB9AMAPTALDH1A1CES2
SCHEMBL2633244 0.72 SMN1; SMN2 (0.45) TP53MAPTALDH1A1HSP90AB1HPGD
SCHEMBL1981395 0.72 ALDH1A1 (0.47) NPC1TP53RAB9AMAPTALDH1A1
SCHEMBL4249140 0.72 ALDH1A1 (0.64) TP53MAPTALDH1A1CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892774-A4 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO ANADYS PHARMACEUTICALS INC (US) 2001-10-04 EP disclosed
US-6239291-B1 Pyronin antibacterials, process and novel intermediates thereto SCRIPTGEN PHARMACEUTICALS, INC. 2001-05-29 US disclosed
US-6228882-B1 MYXOPYRONINS AND CORALLOPYRONINS; RNA POLYMERASE INHIBITORS; SAPONIFICATION, ACIDIFICATION, AZIDING, ACYLATION ANADYS PHARMACEUTICALS, INC. 2001-05-08 US disclosed
US-6191288-B1 Pyronin antibacterials, process and novel intermediates thereto ANADYS PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-6184393-B1 MYXOPYRONINS AND CORALLOPYRONINS AS FURAN AND PYRAN- AND SMALL LACTONE-ANTIBIOTICS; INHIBITORS OF RNA POLYMERASE (RNAP) HAVING SELECTIVITY FOR HUMAN RNAP, CELL PENETRATION AND POTENCY AGAINST RIFAMPICIN-RESISTANT STAPH. AUREUS TRUSTEES OF BOSTON UNIVERSITY 2001-02-06 US disclosed
EP-1043990-A1 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO Scriptgen Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6127551-A 4-HYDROXY-6-ETHYOXYCARBONYLALKENYL-2H-PYRAN-2-ONE IS ACYLATED WITH PROPIONYL CHLORIDE TO FORM A KETONE ADDUCT, FOLLOWED BY BASE-CATALYZED ALDOL TO FROM A PYRONE ALDOL; MESYLATION, FORM A PYRONE KETONE; AND CURTIUS SEQUENCE TO FORM MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-10-03 US disclosed
US-6090953-A PREPARING A MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-07-18 US disclosed
WO-2000015626-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR PYRONIN ANTIBACTERIALS ANADYS PHARMACEUTICALS, INC. (US) 2000-03-23 WO disclosed
US-6022983-A PREPARING A MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
US-5986111-A CONDENSATION OF ALDEHYDE WITH PYRONE TO FORM ADDUCT, OXIDATION AND SAPONIFICATION SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1999034793-A1 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-07-15 WO disclosed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP disclosed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO disclosed