SCHEMBL7939239

SCHEMBL7939239

COC(=O)C1OC(c2ccc(O)c(OC)c2)OC1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.54
CA2 P00918 2/20 0.50
ALOX5 P09917 1/20 0.49
PTPN1 P18031 1/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
QDPR P09417 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 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
SCHEMBL7947759 1.00 NR3C1 (0.54) NR3C1CA2ALOX5PTPN1PPARG
SCHEMBL7945646 0.86 HSD17B2 (0.51) NR3C1CA2ALOX5PTPN1PPARG
SCHEMBL7948495 0.86 HSD17B2 (0.51) NR3C1CA2ALOX5PTPN1PPARG
SCHEMBL29663534 0.80 NR3C1 (0.66) NR3C1CA2ALOX5PTPN1PPARG
SCHEMBL11913924 0.80 NR3C1 (0.66) NR3C1CA2ALOX5PTPN1PPARG
SCHEMBL19214443 0.76 BACE1 (0.51) CA2KMT2ARAB9A
SCHEMBL21607508 0.76 BACE1 (0.51) CA2KMT2ARAB9A
SCHEMBL7950800 0.75 ALDH1A1 (0.47) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL7939252 0.75 ALDH1A1 (0.47) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL21607231 0.75 KDM4E (0.48) GAAKDM4EALDH1A1CASP1CASP7

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
JP-3159388-B2 2001-04-23 JP claimed
US-5371069-A Organoleptic compositions GIUAUDAN-ROURE CORPORATION (US) 1994-12-06 US claimed
EP-0515622-B1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN ROURE INT (CH) 1994-07-20 EP claimed
EP-0515622-A1 ORGANOLEPTIC COMPOSITIONS. GIVAUDAN ROURE INT (CH) 1992-12-02 EP claimed
US-5144048-A Dicarboalkoxy dioxolane derivatives L. GIVAUDAN & CIE, S.A. (CH) 1992-09-01 US claimed
WO-1992010107-A1 ORGANOLEPTIC COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-06-25 WO claimed
US-5371069-A Organoleptic compositions GIUAUDAN-ROURE CORPORATION (US) 1994-12-06 US disclosed