SCHEMBL23829906

SCHEMBL23829906

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
RAB9A P51151 1/20 0.64
NFKB1 P19838 2/20 0.62
ALOX5 P09917 1/20 0.62
STAT3 P40763 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
HSD17B2 P37059 1/20 0.58
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL29988553 1.00 HTT (0.67) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL3861897 0.87 MEN1 (0.64) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL30629388 0.86 CA12 (0.65) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL4438295 0.86 CA12 (0.65) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL5190466 0.85 HTT (0.65) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL31134778 0.85 HTT (0.65) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL1491848 0.83 MEN1 (0.68) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL1396833 0.83 MEN1 (0.68) HTTMEN1KMT2ASLC22A6SLC22A8
SCHEMBL6361805 0.82 PDE4D (0.49) HTTMEN1KMT2ANFKB1ALOX5
Acetic Acid SCHEMBL8861315 0.82 HTT (0.65) HTTMEN1KMT2ASLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114988997-B Method for preparing ethyl vanillin crystals by adopting carboxymethyl chitosan gel 重庆科技学院 2023-06-30 CN disclosed
CN-114988997-A Method for preparing ethyl vanillin crystal by adopting carboxymethyl chitosan gel 重庆科技学院 2022-09-02 CN disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-110522803-A A kind of loquat flower particle and its preparation process UNIV FUJIAN MEDICAL 2019-12-03 CN disclosed
CN-110337991-A A kind of preparation and application of the inhibiting tumour cells agent based on Antrodia camphorata extract 三生源生物科技(天津)有限公司 2019-10-18 CN disclosed