SCHEMBL8488443

SCHEMBL8488443

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.46
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MGLL Q99685 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY2R P49146 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8483155 1.00 NPC1 (0.55) NPC1RAB9AGAAKEAP1NFE2L2
SCHEMBL9235231 0.96 NPC1 (0.57) NPC1RAB9AGAAKEAP1NFE2L2
SCHEMBL9541840 0.91 NPC1 (0.54) NPC1RAB9AGAAMGLL
SCHEMBL8487757 0.91 NPC1 (0.54) NPC1RAB9AGAAKEAP1NFE2L2
SCHEMBL9682837 0.91 NPC1 (0.54) NPC1RAB9AGAAMGLL
SCHEMBL9542179 0.91 NPC1 (0.54) NPC1RAB9AGAAMGLL
SCHEMBL9681832 0.91 NPC1 (0.54) NPC1RAB9AGAAMGLL
SCHEMBL9543483 0.91 NPC1 (0.54) NPC1RAB9AGAAMGLL
SCHEMBL9540810 0.89 NPC1 (0.54) NPC1RAB9AGAAMGLLUSP2
SCHEMBL9541815 0.89 NPC1 (0.56) NPC1RAB9AGAAKEAP1NFE2L2

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
US-5952354-A ENZYME INHIBITORS OF CHLOESTEROL ESTER HYDROLASE AND/OR ACYL COENZYME A:CHLOESTEROL ACYLTRANSFERASE; INHIBIT THE ESTERIFICATION OF CHLOESTEROL AND REDUCE ABSORPTION THROUGH THE INTESTINE; CARBAMATES OF 4-8 MEMBERED AZACYCLOALKANOLS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-14 US disclosed
EP-0635501-A1 Tris carbamic acid esters: inhibitors of cholesterol absorption; inhibitors of ACAT and CEH AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-25 EP disclosed