SCHEMBL28675397

SCHEMBL28675397

CCOC(=O)C(C#N)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CTSK P43235 1/20 0.36
CYP2C9 P11712 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL667294 0.83 HCAR2 (0.34) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL5011157 0.83 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL28983541 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL6969711 0.81 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL28387392 0.80 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL10836020 0.79 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL28738580 0.79 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL23421610 0.78 ALOX15 (0.46) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL3145350 0.76
SCHEMBL27383900 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119546569-A Method for preparing electron-deficient olefin monomer 埃阿迪斯有限公司 2025-02-28 CN disclosed
CN-117929615-B Qualitative and quantitative analysis method for impurities in cyanoacrylate adhesive 潍坊德高新材料有限公司 2024-06-28 CN disclosed
CN-117929615-A Qualitative and quantitative analysis method for impurities in cyanoacrylate adhesive 潍坊德高新材料有限公司 2024-04-26 CN disclosed
CN-113801187-A Preparation and application of Michael acceptor type main protease inhibitor targeting novel coronavirus 南开大学 2021-12-17 CN disclosed