SCHEMBL28220066

SCHEMBL28220066

CC(C)COC(=O)NC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CRBN Q96SW2 1/20 0.37
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7411217 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL3995216 0.83 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2184468 0.79 CHRNB2 (0.42) ALDH1A1KDM4EMAPTMAPK1HSD17B10
SCHEMBL9990175 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL13773178 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2995503 0.77
SCHEMBL5161738 0.77 ALDH1A1 (0.44) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL16922403 0.77 SMN1; SMN2 (0.42) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL9074125 0.76 SMN1; SMN2 (0.44) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL8299466 0.75 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1KDM4EMAPT

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-108137783-A Production of in situ crosslinkable polyisobutylene-polyurethane nanofibers and coatings 心脏起搏器股份公司 2018-06-08 CN claimed