SCHEMBL27682121

SCHEMBL27682121

C=CC(=O)NC(Cl)CCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
UTS2R Q9UKP6 5/20 0.35
KDM4E B2RXH2 2/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
USP2 O75604 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL28106865 0.81 ZDHHC20 (0.46) TSHRALDH1A1MAPK1TDP1MEN1
SCHEMBL8027863 0.77 TGFBR1 (0.42) UTS2RKDM4EUSP2PAOX
Trimethylammonium SCHEMBL2792348 0.75 TSHR (0.47) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL13766093 0.74 TSHR (0.50) TSHRALDH1A1MAPK1TDP1UTS2R
Hydrochloric Acid SCHEMBL28666935 0.72 TSHR (0.48) TSHRALDH1A1MAPK1TDP1UTS2R
SCHEMBL21829097 0.72 TSHR (0.44) TSHRALDH1A1MAPK1TDP1CYP2C19
SCHEMBL24492175 0.72 TSHR (0.37) TSHRALDH1A1MAPK1TDP1KDM4E
SCHEMBL24492451 0.71 TSHR (0.47) TSHRALDH1A1MAPK1TDP1KDM4E
Chloromethane SCHEMBL1227510 0.70 ZDHHC20 (0.55) TSHRALDH1A1MAPK1TDP1KDM4E
SCHEMBL24492464 0.70 TGM2 (0.36) TSHRALDH1A1MAPK1TDP1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100584865-C Surface treatment agent, surface-treated powder, and cosmetic containing the surface-treated powder SHISEIDO CO LTD 2010-01-27 CN disclosed
CN-101035819-A Surface treatment agent, surface-treated powder, and cosmetic containing the surface-treated powder SHISEIDO CO LTD (JP) 2007-09-12 CN disclosed