SCHEMBL29192529

SCHEMBL29192529

C=CC(=O)NC(C)(CCC)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11124078 0.90 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL16585339 0.89 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL16585328 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL16585336 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL16585196 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL16585125 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL11119834 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL11119499 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL16585139 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9
SCHEMBL10602117 0.87 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1CYP3A4CYP2C9

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-117585963-A Shrinkage-reducing anti-cracking type large-volume concrete and preparation method thereof 中建商品混凝土有限公司 2024-02-23 CN claimed