SCHEMBL28107116

SCHEMBL28107116

C=C(C)C(=O)OC(C)N(CC)CC.C=CC(=O)OCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MGLL Q99685 1/20 0.31
HPGD P15428 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
SCHEMBL9879461 0.89 ALDH1A1 (0.66) ALDH1A1TSHRTP53CYP3A4
SCHEMBL28216921 0.84 ALDH1A1 (0.57) ALDH1A1TSHRTP53CYP3A4MGLL
SCHEMBL28070459 0.82 ALDH1A1 (0.55) ALDH1A1TSHRTP53CYP3A4MGLL
SCHEMBL5583484 0.81 ALDH1A1 (0.78) ALDH1A1TSHRTP53CYP3A4MGLL
SCHEMBL28215410 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTP53CYP3A4MGLL
Ethylene SCHEMBL28501951 0.80 ALDH1A1 (0.76) ALDH1A1TSHRTP53CYP3A4MGLL
Ethylene SCHEMBL20476765 0.79 ALDH1A1 (0.65) ALDH1A1TSHRTP53CYP3A4MGLL
SCHEMBL28256981 0.79 ALDH1A1 (0.57) ALDH1A1TSHRTP53CYP3A4MGLL
Acrylic Acid Methyl Ester SCHEMBL29288449 0.79 ALDH1A1 (0.36) ALDH1A1TSHRHPGD
SCHEMBL573178 0.79 ALDH1A1 (0.64) ALDH1A1TSHRTP53CYP3A4MGLL

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-104093560-B Thin-film laminate 日本曹达株式会社 2016-10-26 CN disclosed