SCHEMBL28622017

SCHEMBL28622017

CC(=O)OC1(OCc2ccccc2)CCC(COCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.38
PTPN1 P18031 2/20 0.37
CDC25B P30305 1/20 0.37
ACHE P22303 2/20 0.36
HRH4 Q9H3N8 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
METAP2 P50579 2/20 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
SCHEMBL29121137 0.93 LMNA (0.39) LMNAALDH1A1PTPN1CDC25BACHE
SCHEMBL28621831 0.78 LMNA (0.44) LMNAPTPN1CDC25BACHEHRH4
SCHEMBL28102974 0.76 LMNA (0.44) LMNAPTPN1CDC25BACHEHRH4
SCHEMBL28636592 0.76 LMNA (0.42) LMNAPTPN1CDC25BACHEHRH4
SCHEMBL524359 0.74 LMNA (0.47) LMNAPTPN1CDC25BACHEHRH4
SCHEMBL28802203 0.74 LMNA (0.47) LMNAPTPN1CDC25BACHEHRH4
SCHEMBL28802201 0.74 LMNA (0.47) LMNAPTPN1CDC25BACHEHRH4
SCHEMBL21753776 0.74 LMNA (0.42) LMNAPTPN1CDC25BHRH4HRH3
SCHEMBL1117869 0.74 ALDH1A1 (0.45) ALDH1A1
SCHEMBL28636591 0.73 LMNA (0.41) LMNAPTPN1CDC25BHRH4HRH3

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-113382994-A Antiviral nucleosides and derivatives thereof 詹森生物制药有限公司 2021-09-10 CN disclosed