SCHEMBL28636591

SCHEMBL28636591

OC(=S)C1(OCc2ccccc2)CCC(COCc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
DRD1 P21728 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
BUB1 O43683 1/20 0.34
EPHX2 P34913 1/20 0.33
PDE4D Q08499 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
SCHEMBL28923047 0.90 LMNA (0.40) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28621831 0.87 LMNA (0.44) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28636592 0.85 LMNA (0.42) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28102974 0.80 LMNA (0.44) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL21753776 0.78 LMNA (0.42) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28802201 0.75 LMNA (0.47) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL524359 0.75 LMNA (0.47) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28802203 0.75 LMNA (0.47) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28397236 0.74 CTSL (0.42) LMNAHRH4HRH3DRD1TAAR1
SCHEMBL28622017 0.73 LMNA (0.41) LMNAHRH4HRH3PTPN1CDC25B

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