SCHEMBL22562799

SCHEMBL22562799

CCO[C@@H]1OC(CO)C(C)C(O)C1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LRAT O95237 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GJB2 P29033 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
SCHEMBL25663553 0.90 MEN1 (0.44) LMNAKDM4EALOX15MEN1LRAT
SCHEMBL16690945 0.86 CA1 (0.46) CA1CA2CA9LMNAMAPK1
SCHEMBL27847485 0.86 CA1 (0.46) CA1CA2CA9LMNAMAPK1
SCHEMBL7153430 0.86 CA1 (0.46) CA1CA2CA9LMNAMAPK1
SCHEMBL17722745 0.86 CA1 (0.46) CA1CA2CA9LMNAMAPK1
SCHEMBL16580124 0.86 CA1 (0.46) CA1CA2CA9LMNAMAPK1
SCHEMBL14065596 0.86 MEN1 (0.44) LMNAKDM4EALOX15MEN1LRAT
SCHEMBL14067017 0.86 MEN1 (0.44) LMNAKDM4EALOX15MEN1LRAT
SCHEMBL13049456 0.86 MEN1 (0.44) LMNAKDM4EALOX15MEN1LRAT
SCHEMBL19608796 0.85 LMNA (0.34) CA1CA2CA9LMNAMAPK1

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
EP-3725339-A1 ABSORBABLE IRON-BASED IMPLANTABLE DEVICE Lifetech Scientific (Shenzhen) Co., Ltd (CN) 2020-10-21 — — EP disclosed
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