SCHEMBL28043002

SCHEMBL28043002

CCC(COC(=O)Cc1ccccc1)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
PAM P19021 1/20 0.49
KMT2A Q03164 1/20 0.43
PRKCA P17252 2/20 0.43
PRKCD Q05655 1/20 0.43
SLC18A3 Q16572 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL4581300 0.81 TSHR (0.61) TSHRALDH1A1MAPK1L3MBTL1ADRB2
SCHEMBL19183446 0.80 TSHR (0.53) TSHRALDH1A1MAPK1L3MBTL1ADRB2
SCHEMBL9464184 0.79 ALDH1A1 (0.50) TSHRALDH1A1MAPK1L3MBTL1ADRB2
SCHEMBL28312880 0.79 TSHR (0.68) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27838774 0.78 ADRB2 (0.65) TSHRALDH1A1MAPK1L3MBTL1ADRB2
SCHEMBL19024806 0.78 TSHR (0.57) TSHRALDH1A1MAPK1L3MBTL1ADRB2
SCHEMBL13359958 0.78 ALDH1A1 (0.56) TSHRALDH1A1MAPK1L3MBTL1ADRB2
SCHEMBL2292391 0.78 CTSK (0.56) TSHRALDH1A1SLC18A3MMP12
SCHEMBL3008826 0.78 CTSK (0.56) TSHRALDH1A1SLC18A3MMP12
SCHEMBL10087950 0.77 TSHR (0.53) TSHRALDH1A1MAPK1L3MBTL1ADRB2

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
CN-112088198-B Treatment agent for 6-valent chromium, method for treating pollutant containing 6-valent chromium, and method for treating bone ash containing 6-valent chromium 西铁城时计株式会社 2023-10-03 CN disclosed
CN-110268031-A Powdery composition for 6-valent chromium treatment, tablet, and method for producing leather 西铁城时计株式会社 2019-09-20 CN disclosed
CN-108474047-A For detecting whether being the detection liquid with the 6 processed leathers of valence chromium reducing compound 西铁城时计株式会社 2018-08-31 CN disclosed
CN-108473846-A 6 valence chromium inorganic agents and use its leather or leather and fur products 西铁城时计株式会社 2018-08-31 CN disclosed
CN-108463563-A Use 6 valence chromium inorganic agents reptile is leather-like or the manufacturing method of leather and fur products and use 6 valence chromium inorganic agents reptile is leather-like or leather and fur products 西铁城时计株式会社 2018-08-28 CN disclosed
CN-106661638-A Leather or leather article and method for producing same, hexavalent chromium treatment agent, method for treating hexavalent chromium in crude leather or crude leather article 西铁城时计株式会社 2017-05-10 CN disclosed
CN-102858312-B Aqueous composition in container KAO CORP. (JP) 2016-01-20 CN disclosed