Pyrene

Pyrene

SCHEMBL7749470

CC(CC=O)OS(C)(=O)=O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8006907 0.81 ALDH1A1 (0.46) ALDH1A1
Pyrene SCHEMBL7749578 0.73 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4HPGDTSHR
SCHEMBL15481885 0.66 KCNA5 (0.36) ALDH1A1CYP1A2CYP3A4HPGDMAPT
SCHEMBL9570508 0.65 CYP2C19 (0.46) ALDH1A1HPGDTSHRCYP2C19TDP1
SCHEMBL14718390 0.65 CYP2C19 (0.46) ALDH1A1HPGDTSHRCYP2C19TDP1
SCHEMBL11679673 0.64 ALDH1A1 (0.44) ALDH1A1
SCHEMBL14317566 0.64 ALDH1A1 (0.44) ALDH1A1
SCHEMBL22441312 0.64 TAAR1 (0.47)
SCHEMBL21378558 0.64 TAAR1 (0.47)
SCHEMBL3589541 0.64 TAAR1 (0.47)

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 19 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 claimed
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 claimed
US-6090953-A PREPARING A MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-07-18 US claimed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP claimed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO claimed
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