SCHEMBL28574451

SCHEMBL28574451

COc1cc(C(=O)C(=O)C(C)O)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
RAB9A P51151 1/20 0.72
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
HTT P42858 1/20 0.60
HSD17B2 P37059 1/20 0.53
BLM P54132 2/20 0.51
CYP1A2 P05177 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.50
GCGR P47871 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL28224426 0.87 MEN1 (0.53) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL29532454 0.84 MEN1 (1.00) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL15289000 0.84 MEN1 (1.00) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL28052189 0.83 MEN1 (0.66) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL15289001 0.81 MEN1 (0.86) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL10339187 0.80 MEN1 (0.82) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL760262 0.80 MEN1 (0.82) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL30921173 0.80 MEN1 (0.82) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL30892512 0.80 MEN1 (0.82) MEN1KMT2ARAB9ASLC22A6SLC22A8
SCHEMBL10339186 0.80 MEN1 (0.82) MEN1KMT2ARAB9ASLC22A6SLC22A8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN claimed
EP-4680039-A1 COMPOSITIONS FOR REDUCING OFF NOTES AND USES THEREOF DSM-Firmenich AG (CH) 2026-01-21 EP disclosed
WO-2024251755-A1 COMPOSITIONS FOR REDUCING OFF NOTES AND USES THEREOF DSM-FIRMENICH AG (CH) 2024-12-12 WO disclosed
US-20230148641-A1 FLAVOR COMPOSITION FIRMENICH SA (CH) 2023-05-18 US disclosed
EP-4125427-A1 FLAVOR COMPOSITION Firmenich SA (CH) 2023-02-08 EP disclosed
CN-115279206-A Flavor composition 弗门尼舍有限公司 2022-11-01 CN disclosed
CN-108135859-B Packaging method 罗地亚经营管理公司 2021-08-10 CN disclosed
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN disclosed