SCHEMBL21914693

SCHEMBL21914693

COCC(O)COC(C)(C)CCO

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
MAPT P10636 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
SCHEMBL17664915 0.88 MAPK1 (0.31) MAPK1
SCHEMBL14419895 0.79 TSHR (0.39) MAPK1MAPT
Terbuprol SCHEMBL16001415 0.76 MAPK1 (0.54) MAPK1MAPT
Terbuprol SCHEMBL1815375 0.76 MAPK1 (0.54) MAPK1MAPT
Terbuprol SCHEMBL16001420 0.76 MAPK1 (0.54) MAPK1MAPT
SCHEMBL14473380 0.75 KDM4E (0.37)
SCHEMBL1476177 0.74 MAPK1 (0.36) MAPK1
SCHEMBL13455172 0.73
SCHEMBL14649740 0.72 MAPK1 (0.34) MAPK1MAPT
SCHEMBL55052 0.72

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
WO-2020054454-A1 MEDICAL DEVICE AGC株式会社 2020-03-19 WO disclosed