SCHEMBL29934936

SCHEMBL29934936

CC1=CC(=O)CC(C)(C)C1/C=C/C(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL29934898 0.81 POLB (0.46) PTPN1PTPN2POLBGAAKDM4E
SCHEMBL31053942 0.70 ACHE (0.42) POLBGAAACHECA12CA1
SCHEMBL24482254 0.69 POLB (0.52) PTPN1POLBGAAKDM4ERECQL
SCHEMBL26980742 0.69 POLB (0.52) PTPN1POLBGAAKDM4ERECQL
SCHEMBL30712748 0.67 ACHE (0.46) GAAACHECA12CA1CA2
SCHEMBL38650628 0.67 ACHE (0.46) GAAACHECA12CA1CA2
SCHEMBL29624136 0.67 PTPN1 (0.54) PTPN1PTPN2POLBGAAKDM4E
SCHEMBL30632235 0.66 POLB (0.41) PTPN1POLBGAAKDM4ERECQL
SCHEMBL29542438 0.66 HIF1A (0.47) —
SCHEMBL29408576 0.66 HIF1A (0.47) —

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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