SCHEMBL21697602

SCHEMBL21697602

O=C1O[C@H](COCc2ccccc2)C[C@H](OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PSEN1 P49768 4/20 0.46
PSEN2 P49810 4/20 0.46
APH1B Q8WW43 4/20 0.46
NCSTN Q92542 4/20 0.46
APH1A Q96BI3 4/20 0.46
PSENEN Q9NZ42 4/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
PDE4D Q08499 1/20 0.41
PTPN1 P18031 2/20 0.40
CDC25B P30305 1/20 0.40
AKT1 P31749 1/20 0.37

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
SCHEMBL16010060 1.00 LMNA (0.51) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL21218201 0.87 LMNA (0.51) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL16018599 0.85 PSEN1 (0.47) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL16018622 0.85 PSEN1 (0.47) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL16018601 0.85 PSEN1 (0.47) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL524084 0.82 LMNA (0.58) LMNABCHEACHECTSVCTSL
SCHEMBL28102964 0.82 LMNA (0.58) LMNABCHEACHECTSVCTSL
SCHEMBL20107268 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20056422 0.79 PDE4D (0.42) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL20056463 0.78 LMNA (0.40) LMNAPSEN1PSEN2APH1BNCSTN

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-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed