SCHEMBL7768560

SCHEMBL7768560

CC(C)(C)OC(=O)COc1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.55
ELANE P08246 1/20 0.49
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL198467 0.94 PTPN1 (0.60) PTPN1ELANEPSEN1PSEN2APH1B
SCHEMBL4598237 0.92 PSEN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL9440383 0.87 PTPN1 (0.57) PTPN1ELANEPSEN1PSEN2APH1B
SCHEMBL1045679 0.85 ELANE (0.54) PTPN1ELANEPSEN1PSEN2APH1B
SCHEMBL2611828 0.84 MAPT (0.47) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL3203038 0.83 PTPN1 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8752337 0.83 CYP1A2 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4265630 0.81 PTPN1 (0.51) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL6225351 0.81 PTPN1 (0.51) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL3186678 0.81 PTPN1 (0.51) PTPN1PSEN1PSEN2APH1BNCSTN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed