SCHEMBL8553178

SCHEMBL8553178

O=C(O)C(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.59
SLC1A3 P43003 2/20 0.59
SLC1A2 P43004 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.46
SRR Q9GZT4 2/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL5751604 0.92 KMT2A (0.53) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL5038179 0.88 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL3643943 0.83 ALDH1A1 (0.57) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL8549949 0.83 ALDH1A1 (0.57) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL418322 0.83 SLC1A3 (0.76) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL1231110 0.83 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL1953602 0.83 SLC1A3 (0.76) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL852209 0.83 SLC1A3 (0.76) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL11806967 0.82 KMT2A (0.53) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL9725774 0.81 SLC1A1 (0.68) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2

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
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed
EP-0863894-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
EP-0828720-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1998-03-18 EP disclosed
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5693321-A Polymers containing diester units NYCOMED IMAGING AS (NO) 1997-12-02 US disclosed
US-5688962-A Cyclization process for making oxazolikinones ZENECA LIMITED (GB) 1997-11-18 US disclosed
WO-1997020838-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1997-06-12 WO disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037483-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1996-11-28 WO disclosed
US-5534250-A METHYLENE DIESTER GROUPS, BIODEGRADABLE NYCOMED IMAGING AS (NO) 1996-07-09 US disclosed
EP-0547126-B1 BIODEGRADABLE POLYMERS CONTAINING DIESTER UNITS NYCOMED IMAGING AS (NO) 1996-02-28 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed
EP-0547126-A1 POLYMERS CONTAINING DIESTER UNITS. NYCOMED IMAGING AS (NO) 1993-06-23 EP disclosed
WO-1992004392-A1 POLYMERS CONTAINING DIESTER UNITS HOLMES, MICHAEL, JOHN (GB) 1992-03-19 WO disclosed