SCHEMBL29132933

SCHEMBL29132933

CCOC(=O)NCC#CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 2/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL677162 0.84 ACHE (0.46) ALDH1A1SMN1; SMN2GLAACHE
SCHEMBL9678319 0.83 GAA (0.42) GAAKMT2AMEN1MGAMSI
SCHEMBL337339 0.81 ACHE (0.53) ALDH1A1ACHE
SCHEMBL14404682 0.81 GAA (0.41) GAAKMT2AMEN1MGAMSI
SCHEMBL29132868 0.80
SCHEMBL28614701 0.80 ACHE (0.50) ALDH1A1TSHRACHE
SCHEMBL6688659 0.80 ACHE (0.56) SMN1; SMN2LMNAACHE
SCHEMBL28595382 0.79 ACHE (0.36) ACHE
SCHEMBL677758 0.78 ACHE (0.59) SMN1; SMN2ACHE
SCHEMBL6683165 0.77 MAPT (0.39) KMT2AMEN1ALDH1A1TSHRLMNA

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-117304083-A Mildew-proof polythioether, preparation method thereof and mildew-proof sealant 北京航空材料研究院股份有限公司 2023-12-29 CN claimed
CN-117304083-A Mildew-proof polythioether, preparation method thereof and mildew-proof sealant 北京航空材料研究院股份有限公司 2023-12-29 CN disclosed