SCHEMBL8844508

SCHEMBL8844508

CC(=O)OC1CCN(C(=O)Oc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 1/20 0.69
GAA P10253 1/20 0.62
NPY2R P49146 3/20 0.50
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
ALOX15 P16050 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL9542192 0.87 GAA (0.75) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL9542252 0.87 NPC1 (0.69) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL9542231 0.86 NPC1 (0.64) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL9542280 0.84 NPC1 (0.62) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL9543461 0.84 NPC1 (0.64) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL9544582 0.84 NPC1 (0.64) NPC1RAB9AGAAHSD17B10MEN1
SCHEMBL2597837 0.83 GAA (0.88) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL8480175 0.82 NPC1 (1.00) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL9231431 0.81 NPC1 (0.60) NPC1RAB9AGAAHSD17B10MEN1
SCHEMBL14028421 0.81 NPC1 (0.60) NPC1RAB9AGAANPY2RHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US claimed
US-5602151-A ADMINISTERING TO MAMMALS TO REDUCE SERUM CHOLESTEROL LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-11 US disclosed
US-5512565-A REDUCE CHOLESTEROL ABSORPTION IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 US disclosed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 EP disclosed