SCHEMBL28636592

SCHEMBL28636592

O=C(S)C1(OCc2ccccc2)CCC(COCc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HRH4 Q9H3N8 4/20 0.37
HRH3 Q9Y5N1 4/20 0.37
EPHX2 P34913 1/20 0.37
PTPN1 P18031 2/20 0.36
CDC25B P30305 1/20 0.36
DRD1 P21728 1/20 0.35
ACHE P22303 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL28621831 0.90 LMNA (0.44) LMNAHRH4HRH3EPHX2PTPN1
SCHEMBL28636591 0.85 LMNA (0.41) LMNAHRH4HRH3EPHX2PTPN1
SCHEMBL28923047 0.83 LMNA (0.40) LMNAHRH4HRH3EPHX2PTPN1
SCHEMBL28102974 0.81 LMNA (0.44) LMNAHRH4HRH3PTPN1CDC25B
SCHEMBL21753776 0.79 LMNA (0.42) LMNAHRH4HRH3PTPN1CDC25B
SCHEMBL28622017 0.76 LMNA (0.41) LMNAHRH4HRH3PTPN1CDC25B
SCHEMBL28802203 0.73 LMNA (0.47) LMNAHRH4HRH3PTPN1CDC25B
SCHEMBL28802201 0.73 LMNA (0.47) LMNAHRH4HRH3PTPN1CDC25B
SCHEMBL524359 0.73 LMNA (0.47) LMNAHRH4HRH3PTPN1CDC25B
Maleic Acid SCHEMBL28849148 0.73 LMNA (0.38) LMNAHRH4HRH3PTPN1

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