SCHEMBL27375669

SCHEMBL27375669

COCc1ccco1.SS

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.47
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
SCHEMBL872796 0.96
SCHEMBL28264711 0.93
Methyl Alcohol SCHEMBL28541818 0.91 ALDH1A1 (0.58) ALDH1A1GAAMAPK1MAPTTP53
Furan SCHEMBL27535067 0.88 ALDH1A1 (0.50) ALDH1A1GAAMAPK1MAPTTP53
SCHEMBL7356502 0.79 ALDH1A1 (0.50) ALDH1A1GAAMAPK1MAPTTP53
Benzoic Acid SCHEMBL29002940 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTTP53HTT
Acrylic Acid SCHEMBL27518392 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTTP53HTT
SCHEMBL11749020 0.79 ALDH1A1 (0.57) ALDH1A1GAAMAPK1MAPTTP53
SCHEMBL12417061 0.78
SCHEMBL8806778 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPK1MAPTTP53

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110367509-A A kind of allotment type A Sayi berry essence and preparation method thereof 上海应用技术大学 2019-10-25 CN claimed
CN-107890068-A A kind of pork oily essence and preparation method thereof 天津春宇食品配料有限公司 2018-04-10 CN claimed
CN-107328876-A A kind of method of volatile sulfur compounds in economic Quantitative detection white wine 安徽瑞思威尔科技有限公司 2017-11-07 CN claimed
CN-101522052-B Perfume composition 小川香料株式会社 2017-07-18 CN claimed
CN-103876098-B Flavor compositions 小川香料株式会社 2017-03-29 CN claimed
CN-103826468-B Feedstuff flavoring compositions 林承昱 2016-09-07 CN claimed
CN-104172059-A Mixed roast beef flavoured essence and preparation method thereof TIANJIN CHUNFA BIO TECH GROUP 2014-12-03 CN claimed
CN-103876098-A Perfume composition OGAWA & CO LTD 2014-06-25 CN claimed
CN-103284119-B Beef marrow bone zymolyte and application thereof TIANNING FLAVOR & FRAGRANCE JIANGSU CO LTD 2014-06-18 CN claimed
CN-103826468-A Scent composition for feed LIM SEUNG-WOOK 2014-05-28 CN claimed
CN-103284119-A Beef marrow bone zymolyte and application thereof TIANNING FLAVOR & FRAGRANCE JIANGSU CO LTD 2013-09-11 CN claimed
CN-102885282-A Beef flavor and preparation method thereof TIANJIN CHUNFA BIO TECH GROUP 2013-01-23 CN claimed
CN-101522052-A Perfume composition OGAWA & CO LTD (JP) 2009-09-02 CN claimed
CN-106072407-B A kind of roasting essence of allotment type and its preparation method and application in Flour product 山东天博食品配料有限公司 2019-11-29 CN disclosed
CN-110367509-A A kind of allotment type A Sayi berry essence and preparation method thereof 上海应用技术大学 2019-10-25 CN disclosed
CN-110367509-A A kind of allotment type A Sayi berry essence and preparation method thereof 上海应用技术大学 2019-10-25 CN disclosed
CN-103284119-A Beef marrow bone zymolyte and application thereof TIANNING FLAVOR & FRAGRANCE JIANGSU CO LTD 2013-09-11 CN disclosed
CN-102885282-A Beef flavor and preparation method thereof TIANJIN CHUNFA BIO TECH GROUP 2013-01-23 CN disclosed
CN-101522052-A Perfume composition OGAWA & CO LTD (JP) 2009-09-02 CN disclosed
CN-1061340-C Preparation method of methyl alkyl dithio ether BAIJING INDUSTRY AND COMMERCE (CN) 2001-01-31 CN disclosed