SCHEMBL6178689

SCHEMBL6178689

CCCCOC(=O)C1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RAB9A P51151 3/20 0.60
CYP2C19 P33261 2/20 0.58
HTT P42858 1/20 0.53
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ENPP2 Q13822 1/20 0.46
PDE4B Q07343 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL10408085 0.89 SMN1; SMN2 (0.64) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL6999819 0.88 NPC1 (0.63) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL5766528 0.88 NPC1 (0.66) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL7533428 0.85 SMN1; SMN2 (0.70) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL14348062 0.84 SMN1; SMN2 (0.68) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL16025051 0.84 SMN1; SMN2 (0.68) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL631512 0.84 SMN1; SMN2 (0.68) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL21241505 0.82 FKBP1A (0.56) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL21241642 0.82 FKBP1A (0.56) NPC1SMN1; SMN2RAB9ACYP2C19HTT
SCHEMBL5767775 0.82 SMN1; SMN2 (0.71) NPC1SMN1; SMN2RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed