SCHEMBL28008754

SCHEMBL28008754

C=C(C(=O)OC)C(C)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SLC6A3 Q01959 7/20 0.37
SLC6A2 P23975 5/20 0.34
CHRNA1 P02708 4/20 0.34
CHRNG P07510 4/20 0.34
CHRNB1 P11230 4/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRND Q07001 4/20 0.34
SLC6A4 P31645 3/20 0.33
CA14 Q9ULX7 2/20 0.33
ITGA5 P08648 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
CHRNA7 P36544 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL980416 0.78 SLC6A3 (0.39) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL11909582 0.77 SLC6A3 (0.39) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL6137196 0.75 CA14 (0.50) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL13166671 0.75 CA14 (0.50) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL13646104 0.75 CA14 (0.50) ALDH1A1SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL22089026 0.73 CA1 (0.45) CA14CA12
SCHEMBL3909058 0.72
SCHEMBL14749828 0.71 ALDH1A1 (0.44) ALDH1A1CA14SMN1; SMN2CA12
SCHEMBL3859257 0.70
SCHEMBL599284 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109425945-A Optical fibre core 住友电气工业株式会社 2019-03-05 CN disclosed
CN-103525322-B Sealing resin piece, the manufacture method of electronic component package and electronic component package 日东电工株式会社 2017-10-24 CN disclosed
CN-103347961-B Coating composition 路博润高级材料公司 2017-10-24 CN disclosed
CN-105440989-A POLARIZING PLATE WITH PRESSURE-SENSITIVE ADHESIVE LAYER NITTO DENKO CORP 2016-03-30 CN disclosed
CN-103890027-B Fluoridize water-oily repellents ALLNEX BELGIUM S.A. (BE) 2016-03-30 CN disclosed
CN-105219287-A Dicing tape-integrated film for semiconductor back surface and the method for the production of semiconducter device NITTO DENKO CORP 2016-01-06 CN disclosed
CN-103906780-B Fluoridize water-oil phase and scold agent ALLNEX BELGIUM S.A. (BE) 2015-12-09 CN disclosed
CN-102373019-B Dicing tape-integrated film for semiconductor back surface and method for producing semiconductor device NITTO DENKO CORP. (JP) 2015-10-14 CN disclosed
CN-102376611-B Semiconductor back surface film, dicing tape-integrated film for semiconductor back surface, for the production of the method for semiconductor device and semiconductor device NITTO DENKO CORP. (JP) 2015-08-05 CN disclosed
CN-102757735-B Optical pressure-sensitive glue slice NITTO DENKO CORP 2015-06-17 CN disclosed
CN-102822225-B Cationic acrylic resins CYTEC AUSTRIA GMBH 2015-03-04 CN disclosed