SCHEMBL30769601

SCHEMBL30769601

CCCCOC(=O)/C=C(/C(=O)OCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
TSHR P16473 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL4911670 0.88 MAPT (0.53) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL4911666 0.88 MAPT (0.53) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL7992908 0.88 MAPT (0.53) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL30769611 0.87 TSHR (0.41) ALDH1A1L3MBTL1TDP1TSHRSMN1; SMN2
SCHEMBL28085775 0.81 TSHR (0.51) ALDH1A1L3MBTL1TDP1TSHRMEN1
SCHEMBL3482698 0.81 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL11274535 0.81 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL6394012 0.81 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1TDP1MEN1
SCHEMBL30769556 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1TDP1TSHRLMNA
SCHEMBL30683701 0.80 HPGD (0.50) ALDH1A1MAPTL3MBTL1TDP1TSHR

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-117756590-A Method for preparing alpha, beta unsaturated succinate compound 中国科学院大连化学物理研究所 2024-03-26 CN disclosed