SCHEMBL29192590

SCHEMBL29192590

C=CC(=O)NC(C)(CCCC)CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
EPHX1 P07099 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EPHX2 P34913 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
SCHEMBL29192537 0.95 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL29192562 0.94 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL29204553 0.94 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL22318955 0.94 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL28642881 0.94 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL22318894 0.94 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL22318952 0.94 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL28450017 0.93 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL2558765 0.91 ZDHHC20 (0.38) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A
SCHEMBL18333661 0.89 ALDH1A1 (0.38) ZDHHC20ZDHHC2ALDH1A1MEN1KMT2A

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-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
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 disclosed