SCHEMBL9542192

SCHEMBL9542192

CC1CCN(C(=O)OC2CCN(C(=O)Oc3ccc(Oc4ccccc4)cc3)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.75
NPC1 O15118 2/20 0.66
RAB9A P51151 1/20 0.66
LIPE Q05469 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NPY2R P49146 3/20 0.48
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ACHE P22303 1/20 0.46
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
ALOX15 P16050 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
SCHEMBL2597837 0.92 GAA (0.88) GAANPC1RAB9ALIPEMEN1
SCHEMBL8844508 0.87 NPC1 (0.69) GAANPC1RAB9AMEN1KMT2A
SCHEMBL470967 0.87 GAA (1.00) GAANPC1RAB9ALIPEMEN1
SCHEMBL9543461 0.86 NPC1 (0.64) GAANPC1RAB9AMEN1KMT2A
SCHEMBL9544582 0.86 NPC1 (0.64) GAANPC1RAB9AMEN1KMT2A
SCHEMBL9542252 0.85 NPC1 (0.69) GAANPC1RAB9AMEN1KMT2A
SCHEMBL9542231 0.84 NPC1 (0.64) GAANPC1RAB9AMEN1KMT2A
SCHEMBL9231431 0.83 NPC1 (0.60) GAANPC1RAB9AMEN1KMT2A
SCHEMBL9542280 0.82 NPC1 (0.62) GAANPC1RAB9AMEN1KMT2A
SCHEMBL8844984 0.81 GAA (0.68) GAANPC1RAB9ALIPELMNA

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 2 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