SCHEMBL28114220

SCHEMBL28114220

CCN(C)C(C)C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AOC3 Q16853 1/20 0.33
TSHR P16473 3/20 0.32
TRPA1 O75762 1/20 0.31
GAA P10253 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
SCHEMBL10282505 0.82 TSHR (0.38) TSHRTRPA1
SCHEMBL28114213 0.77 TDP1 (0.38) TDP1KDM4ELMNAL3MBTL1TSHR
SCHEMBL28113863 0.76
SCHEMBL22991729 0.74 KDM4E (0.40) KDM4EL3MBTL1
SCHEMBL26347952 0.73
SCHEMBL24589245 0.72 AOC3 (0.30) AOC3
Etafedrine SCHEMBL249050 0.72 KDM4E (0.68) KDM4EALDH1A1LMNAAOC3TSHR
Etafedrine SCHEMBL14384530 0.72 KDM4E (0.68) KDM4EALDH1A1LMNAAOC3TSHR
Etafedrine SCHEMBL14643068 0.72 KDM4E (0.68) KDM4EALDH1A1LMNAAOC3TSHR
E968 SCHEMBL23071561 0.71 LMNA (0.53) TDP1KDM4EALDH1A1LMNAL3MBTL1

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-106317369-A Aqueous polyurethane resin dispersion and use thereof 宇部兴产株式会社 2017-01-11 CN disclosed