SCHEMBL28834696

SCHEMBL28834696

C=CC(CCCC)S(=O)(=O)O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 4/20 0.35
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
CA2 P00918 3/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ACHE P22303 1/20 0.30
BACE1 P56817 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
SCHEMBL4563719 0.98 TP53 (0.39) TP53TSHRRECQLSMN1; SMN2FDPS
SCHEMBL2454623 0.92 TP53 (0.47) TP53FDPSZDHHC20ZDHHC2CA1
SCHEMBL28007248 0.90 TP53 (0.46) TP53FDPSCA2ZDHHC20ZDHHC2
SCHEMBL8387816 0.85 HDAC1 (0.36) TP53TSHRFDPSCA2CA1
SCHEMBL14955824 0.80 SLC6A2 (0.30) TSHR
SCHEMBL28694117 0.79
SCHEMBL11654646 0.79 TSHR (0.45) TP53TSHRRECQLSMN1; SMN2FDPS
SCHEMBL27853477 0.79
SCHEMBL9936104 0.76
SCHEMBL14368612 0.76 TP53 (0.38) TP53TSHRRECQLSMN1; SMN2FDPS

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-110922545-B Alkyl hydroxyl block polymer modified polycarboxylic slump retaining agent and preparation method thereof 湖北工业大学 2022-09-13 CN disclosed
CN-110922545-A Alkyl hydroxyl block polymer modified polycarboxylic slump retaining agent and preparation method thereof 湖北工业大学 2020-03-27 CN disclosed