SCHEMBL28610733

SCHEMBL28610733

CCN(CC)C(COC(=O)CCC(=O)O)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
LMNA P02545 5/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PAM P19021 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL28921629 0.92 MAPT (0.40) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL19664768 0.84 EGLN1 (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
Citric Acid SCHEMBL28688486 0.82 ALDH1A1 (0.44) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL27669753 0.82 MAPT (0.41) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL15633957 0.81 PHF8 (0.50) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL28688365 0.80 KDM4E (0.32) EGLN1KDM6BKDM5CPHF8KDM2A
Citric Acid SCHEMBL28574122 0.77 ALDH1A1 (0.42) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL5456690 0.76 MAPT (0.46) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL13609252 0.75 TSHR (0.55) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL846984 0.74 EGLN1 (0.45) EGLN1KDM6BKDM5CPHF8KDM2A

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-113045439-B Succinic acid mono- (2-diethylamino-ethyl) ester, preparation method and application 礼研科技(济南)有限公司 2022-10-18 CN disclosed
CN-113045439-A Succinic acid mono- (2-diethylamino-ethyl) ester, preparation method and application 礼研科技(济南)有限公司 2021-06-29 CN disclosed