SCHEMBL22928394

SCHEMBL22928394

CC(=O)NC1C(OC(C)=O)OC(COS(C)(=O)=O)C(O)C1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CA2 P00918 4/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTN P21246 1/20 0.39
▸ MDK P21741 1/20 0.39
▸ BDNF P23560 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA9 Q16790 3/20 0.35

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
SCHEMBL29557204 0.90 LMNA (0.53) LMNAKMT2AALDH1A1POLBCA2
SCHEMBL24454398 0.88 MAPK1 (0.36) LMNAKMT2AALDH1A1POLBCA2
SCHEMBL24454397 0.87 CA2 (0.36) LMNAKMT2AALDH1A1POLBCA2
SCHEMBL6329776 0.85 LMNA (0.57) LMNAKMT2AALDH1A1POLBCA2
SCHEMBL19088127 0.85 LMNA (0.57) LMNAKMT2AALDH1A1POLBCA2
SCHEMBL6329767 0.85 LMNA (0.57) LMNAKMT2AALDH1A1POLBCA2
SCHEMBL7154639 0.82 ALDH1A1 (0.52) LMNAKMT2AALDH1A1POLBTHRB
SCHEMBL7154645 0.82 ALDH1A1 (0.52) LMNAKMT2AALDH1A1POLBTHRB
SCHEMBL8027243 0.82 ALDH1A1 (0.52) LMNAKMT2AALDH1A1POLBTHRB
SCHEMBL29556423 0.82 ALDH1A1 (0.52) LMNAKMT2AALDH1A1POLBTHRB

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
WO-2021015622-A1 SYNTHESIS OF 6-AZIDO-6-DEOXY-2-N-ACETYL-HEXOSAMINE-NUCLEOSIDE DIPHOSPHATE SYNAFFIX B.V. (NL) 2021-01-28 — — WO disclosed
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