SCHEMBL29048959

SCHEMBL29048959

CCCC(=O)OC(=O)C(CC)(CC)OC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL29048958 0.83 TDP1 (0.33) ALDH1A1FFAR3TSHR
SCHEMBL385084 0.77 ALDH1A1 (0.61) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL4631690 0.74 ALDH1A1 (0.64) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL11630557 0.73 ALDH1A1 (0.56) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL28312774 0.73 ALDH1A1 (0.56) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL6844307 0.73 ALDH1A1 (0.56) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL6150931 0.72 ALDH1A1 (0.61) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL27728515 0.72 ALDH1A1 (0.61) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL28365907 0.72 ALDH1A1 (0.61) ALDH1A1LMNACES2CES1FFAR3
SCHEMBL30568759 0.72 ALDH1A1 (1.00) ALDH1A1LMNACES2CES1FFAR3

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-117642410-A Ester derivatives of N4-hydroxycytidine and uses thereof 苏州春海生物医药有限公司 2024-03-01 CN disclosed
CN-116583530-A N 4 Ester derivatives of hydroxycytidine and their use 苏州春海生物医药有限公司 2023-08-11 CN disclosed