SCHEMBL29926166

SCHEMBL29926166

C[C@H](N1CCOCC1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNA5 P22460 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL49152 1.00 CA12 (0.39) CA12CA7CA14SMN1; SMN2PKM
SCHEMBL4566523 0.98 CA12 (0.38) CA12CA7CA14SMN1; SMN2PKM
SCHEMBL5492640 0.98 CA12 (0.38) CA12CA7CA14SMN1; SMN2PKM
SCHEMBL29027428 0.98 CA12 (0.38) CA12CA7CA14SMN1; SMN2PKM
Water SCHEMBL730524 0.98 CA12 (0.38) CA12CA7CA14SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL28285547 0.96 CA12 (0.37) CA12CA7CA14SMN1; SMN2PKM
SCHEMBL62393 0.84 KDM4E (0.32) LMNAKDM4EGAA
SCHEMBL4694756 0.80 CA12 (0.41) CA12CA7CA14SMN1; SMN2PKM
SCHEMBL15572838 0.80 CA12 (0.41) CA12CA7CA14SMN1; SMN2PKM
Water SCHEMBL28800260 0.79 KDM4E (0.30) KDM4E

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-109496149-B Formulation of antibodies and drug conjugates thereof 根马布股份公司 2022-10-14 CN disclosed