SCHEMBL28668019

SCHEMBL28668019

COC(=O)C(OC)(OC)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
DGAT1 O75907 1/20 0.37
KCNN4 O15554 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SRC P12931 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
SCHEMBL9416764 0.85 DGAT1 (0.42) ALDH1A1DGAT1KCNN4MAPTMEN1
SCHEMBL9416745 0.76 DGAT1 (0.36) ALDH1A1DGAT1KCNN4MAPTMEN1
SCHEMBL9402444 0.74 DGAT1 (0.34) ALDH1A1DGAT1KCNN4MAPTMEN1
SCHEMBL18868424 0.71 ALDH1A1 (0.44) ALDH1A1DGAT1KCNN4MAPTMGAM
SCHEMBL11422045 0.71 ALDH1A1 (0.44) ALDH1A1DGAT1KCNN4MAPTMGAM
SCHEMBL11028628 0.70 ALDH1A1 (0.38) ALDH1A1DGAT1KCNN4MGAMGAA
SCHEMBL14946214 0.70 DGAT1 (0.41) ALDH1A1DGAT1KCNN4MGAMGAA
SCHEMBL5492680 0.69 SRC (0.50) ALDH1A1DGAT1KCNN4MAPTMGAM
SCHEMBL11496818 0.69 SRC (0.50) ALDH1A1KCNN4MAPTGAASRC
SCHEMBL1661824 0.69 DGAT1 (0.44) ALDH1A1DGAT1KCNN4MAPTMGAM

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-215311896-U Synthetic raw materials compounding device of using of medical intermediate 广安一新医药科技有限公司 2021-12-28 CN disclosed