SCHEMBL7933328

SCHEMBL7933328

CCC(=O)c1c(O)ccoc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
CA9 Q16790 6/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
PTGS1 P23219 1/20 0.46
DRD3 P35462 1/20 0.46
HSP90AB1 P08238 1/20 0.38
ELANE P08246 5/20 0.36
PTPN1 P18031 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL24376271 0.79 KDM4E (0.55) KDM4EMAPK1CA9MEN1KMT2A
SCHEMBL10338153 0.76 KDM4E (0.52) KDM4EMAPK1CA9MEN1KMT2A
SCHEMBL8002714 0.75 HSP90AB1 (0.41) KDM4EMAPK1CA9MEN1KMT2A
SCHEMBL24376272 0.74 MAPK1 (0.42) KDM4EMAPK1ELANECA1CA2
SCHEMBL6659676 0.73 KDM4E (0.48) KDM4EMAPK1CA9CA12CA1
SCHEMBL2989475 0.71 MEN1 (0.61) CA9MEN1KMT2ACYP3A4PTGS1
SCHEMBL2984614 0.70 MEN1 (0.54) CA9MEN1KMT2ACYP3A4PTGS1
SCHEMBL7752131 0.69 NPC1 (0.42) MAPK1CA9MEN1KMT2AHSP90AB1
SCHEMBL6026933 0.69 ELANE (0.68) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL15782818 0.68 CA12 (0.47) KDM4EMAPK1CA9CA12

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
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
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
WO-1999034793-A1 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-07-15 WO disclosed