SCHEMBL28144253

SCHEMBL28144253

CC1=C[C](C=O)CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2559718 0.71 MAPT (0.36) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL22522 0.70 ALDH1A1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL7102666 0.70 ALDH1A1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL11132973 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL1984334 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL10613596 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL271129 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
Methane SCHEMBL27760260 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL7735826 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
Water SCHEMBL9637163 0.68 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A

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-106634167-A Multifunctional nanometer bamboo charcoal environment-friendly printing ink, a preparing method thereof and applications of the printing ink 胡钧 2017-05-10 CN disclosed