SCHEMBL28175604

SCHEMBL28175604

C=C(CCCS(=O)(=O)O)C(=O)OC.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
TSHR P16473 1/20 0.31
EPHX2 P34913 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL8579449 0.98 ALDH1A1 (0.37) ALDH1A1APPFNTAFNTBTSHR
SCHEMBL28408573 0.96 ALDH1A1 (0.35) ALDH1A1APPFNTAFNTBTSHR
SCHEMBL28176446 0.89 ALDH1A1 (0.38) ALDH1A1FNTAFNTBTSHRCA12
SCHEMBL2398658 0.86 ALDH1A1 (0.39) ALDH1A1FNTAFNTBTSHRCA12
SCHEMBL22051023 0.81 ALDH1A1 (0.35) ALDH1A1FNTAFNTBTSHR
SCHEMBL5969185 0.80 ALDH1A1 (0.39) ALDH1A1APPTSHREPHX2
SCHEMBL7924271 0.80 TSHR (0.48) ALDH1A1TSHR
SCHEMBL27993034 0.79 ALDH1A1 (0.33) ALDH1A1APPTSHR
SCHEMBL5671965 0.78 APP (0.34) APPTSHR
SCHEMBL9574853 0.76 APP (0.39) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107163865-A Adhesive film, the optical element comprising it and the optical display comprising it 三星SDI株式会社 2017-09-15 CN disclosed