SCHEMBL9544582

SCHEMBL9544582

O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(OC(=O)N2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
GAA P10253 1/20 0.54
FAAH O00519 6/20 0.54
PARP14 Q460N5 2/20 0.51
PARP10 Q53GL7 2/20 0.51
ADAM10 O14672 1/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
ADAM17 P78536 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
HSD17B10 Q99714 1/20 0.46
PDE4B Q07343 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL8845160 0.92 NPC1 (0.74) NPC1RAB9AGAAFAAHPARP14
SCHEMBL12745808 0.87 GAA (0.69) NPC1RAB9AGAAFAAHROCK2
SCHEMBL9542192 0.86 GAA (0.75) NPC1RAB9AGAAHSD17B10MEN1
SCHEMBL9543461 0.85 NPC1 (0.64) NPC1RAB9AGAAFAAHHSD17B10
SCHEMBL9542252 0.84 NPC1 (0.69) NPC1RAB9AGAAFAAHHSD17B10
SCHEMBL8844508 0.84 NPC1 (0.69) NPC1RAB9AGAAHSD17B10MEN1
SCHEMBL9231431 0.82 NPC1 (0.60) NPC1RAB9AGAAHSD17B10MEN1
SCHEMBL9542231 0.81 NPC1 (0.64) NPC1RAB9AGAAHSD17B10MEN1
SCHEMBL14028421 0.80 NPC1 (0.60) NPC1RAB9AGAAFAAHHSD17B10
SCHEMBL12204732 0.79 NPC1 (0.59) NPC1RAB9AGAAFAAHHSD17B10

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