SCHEMBL9541777

SCHEMBL9541777

CCCCCCNC(=O)OC1CCN(C(=O)Oc2ccc(Oc3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACHE P22303 4/20 0.43
NPY2R P49146 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL9682837 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9544580 0.92 MGLL (0.46) MGLLNPC1RAB9AACHE
SCHEMBL9543483 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9542179 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9541840 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9681832 0.92 NPC1 (0.54) MGLLNPC1RAB9A
SCHEMBL9541815 0.88 NPC1 (0.56) NPC1RAB9ANPY2R
SCHEMBL8707756 0.87 NPC1 (0.48) MGLLNPC1RAB9AACHE
SCHEMBL9233369 0.87 NPC1 (0.48) MGLLNPC1RAB9AACHE
SCHEMBL8952484 0.83 MGLL (0.46) MGLLACHE

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