SCHEMBL7945646

SCHEMBL7945646

CCOC(=O)C1OC(c2ccc(O)c(OC)c2)OC1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.51
NR3C1 P04150 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOB P27338 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 2/20 0.46
ALOX5 P09917 1/20 0.45
PTPN1 P18031 1/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
GAA P10253 3/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7948495 1.00 HSD17B2 (0.51) HSD17B2NR3C1ALDH1A1MEN1KMT2A
SCHEMBL7950800 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7939252 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7939239 0.86 NR3C1 (0.54) NR3C1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7947759 0.86 NR3C1 (0.54) NR3C1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7939268 0.79 TSHR (0.55) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL9420155 0.79 TSHR (0.55) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL7709533 0.79 TSHR (0.54) ALDH1A1KMT2AMAPTKDM4ETSHR
SCHEMBL7939260 0.77 TSHR (0.55) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL7950760 0.77 TSHR (0.55) ALDH1A1MEN1KMT2AMAPTTSHR

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 6 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