SCHEMBL9542280

SCHEMBL9542280

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
GAA P10253 1/20 0.55
NPY2R P49146 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MGLL Q99685 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL8844508 0.84 NPC1 (0.69) NPC1RAB9AGAANPY2RSMN1; SMN2
SCHEMBL9542192 0.82 GAA (0.75) NPC1RAB9AGAANPY2RSMN1; SMN2
SCHEMBL9542252 0.82 NPC1 (0.69) NPC1RAB9AGAANPY2RSMN1; SMN2
SCHEMBL9542231 0.81 NPC1 (0.64) NPC1RAB9AGAANPY2RSMN1; SMN2
SCHEMBL27852182 0.80 GAA (0.63) NPC1RAB9AGAANPY2RSMN1; SMN2
SCHEMBL8845027 0.80 NPC1 (0.71) NPC1RAB9AGAANPY2RHSD17B10
SCHEMBL8844754 0.80 NPC1 (0.63) NPC1RAB9AGAANPY2R
SCHEMBL9541815 0.79 NPC1 (0.56) NPC1RAB9AGAANPY2RALDH1A1
SCHEMBL9544582 0.79 NPC1 (0.64) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL9543461 0.79 NPC1 (0.64) NPC1RAB9AGAANPY2RSMN1; SMN2

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
WO-1993013067-A1 4-SUBSTITUTED PIPERIDINECARBOXYLIC ACID ESTERS: INHIBITION OF CHOLESTEROL ABSORPTION AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-08 WO claimed
US-5169844-A Enzyme inhibitor, anticholesterol and antilipemic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-08 US claimed
US-5169844-A Enzyme inhibitor, anticholesterol and antilipemic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-08 US disclosed