SCHEMBL28213312

SCHEMBL28213312

C=CCC=C(CC=C)C(N)=O.OCC(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL49388 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL49390 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15810216 0.77 TSHR (0.35) ALDH1A1
SCHEMBL15810215 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL729428 0.74
SCHEMBL28890333 0.73
SCHEMBL5848895 0.72
SCHEMBL8921505 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3478505 0.70 HTT (0.33)
SCHEMBL7599523 0.70 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-107922779-A Surface conditioning agent, the manufacture method of overlay film and the metal material with overlay film 日本帕卡濑精株式会社 2018-04-17 CN disclosed