SCHEMBL29029682

SCHEMBL29029682

O=C(O)CCC(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.57
NR4A2 P43354 1/20 0.52
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
CPA3 P15088 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL29029678 0.89 MDM2 (0.50) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
SCHEMBL15471556 0.84 KMT2A (0.49) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
SCHEMBL29029660 0.84 MDM2 (0.53) MDM2NR4A2ALDH1A1CYP2C19TSHR
SCHEMBL6821357 0.83 CPA3 (0.56) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
SCHEMBL28573271 0.83 MDM2 (0.45) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
SCHEMBL23849637 0.82 L3MBTL1 (0.52) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL11517845 0.82 MAPT (0.56) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
SCHEMBL8535917 0.82 TET2 (0.50) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL2761665 0.82 MAPT (0.56) MDM2NR4A2ALDH1A1CYP2C19CYP2D6
SCHEMBL18327107 0.80 CYP1A2 (0.52) MDM2NR4A2ALDH1A1CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116219085-B Synthetic tanning agent containing multifunctional structure and preparation method and application thereof 南京工业大学 2024-03-15 CN disclosed
CN-116970746-A Synthetic tanning agent containing hexabasic carbonyl and preparation method and application thereof 南京工业大学 2023-10-31 CN disclosed
CN-116219085-A Synthetic tanning agent containing multifunctional structure and preparation method and application thereof 南京工业大学 2023-06-06 CN disclosed