SCHEMBL7016401

SCHEMBL7016401

CC1(C)C2(C3CCCCC3)C(=O)NC(=O)C12C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.38
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CYP19A1 P11511 1/20 0.32
TBXAS1 P24557 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MMP13 P45452 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8686431 0.73 APP (0.35) HSD11B1APPBACE1BACE2CYP19A1
SCHEMBL8686102 0.73 APP (0.35) HSD11B1APPBACE1BACE2CYP19A1
SCHEMBL19628669 0.67 APP (0.37) HSD11B1APPBACE1BACE2CYP19A1
SCHEMBL15974332 0.67 GAA (0.36) HSD11B1APPBACE1BACE2GAA
SCHEMBL8958230 0.67 GAA (0.36) HSD11B1APPBACE1BACE2GAA
SCHEMBL15974137 0.65 CCR2 (0.36) HSD11B1CYP19A1TBXAS1GAAMMP13
SCHEMBL15974753 0.65 APP (0.38) HSD11B1APPBACE1BACE2
SCHEMBL15974011 0.64 GAA (0.36) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL5447079 0.64 GAA (0.42) HSD11B1APPBACE1BACE2CYP19A1
SCHEMBL15974584 0.63 APP (0.33) APPBACE1BACE2GAAMMP13

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7149693-A None JP disclosed
EP-1083882-A4 A HEPATOCYTE TARGETING POLYETHYLENE GLYCO-GRAFTED POLY-L-LYSINE POLYMERIC GENE CARRIER EXPRESSION GENETICS INC (US) 2004-08-18 EP disclosed
EP-1083882-A1 A HEPATOCYTE TARGETING POLYETHYLENE GLYCO-GRAFTED POLY-L-LYSINE POLYMERIC GENE CARRIER Expression Genetics, Inc. (US) 2001-03-21 EP disclosed
WO-1999059546-A1 A HEPATOCYTE TARGETING POLYETHYLENE GLYCO-GRAFTED POLY-L-LYSINE POLYMERIC GENE CARRIER EXPRESSION GENETICS, INC. (US) 1999-11-25 WO disclosed
JP-H07149693-A NOVEL ESTER DERIVED FROM 2,2-DIMETHYL-3-(3,3,3-TRIFLUORO-1-PROPENYL)CYCLOPROPANECARBOXYLIC ACID, ITS PREPARATION AND USE THEREOF AS INSECTICIDE ROUSSEL UCLAF 1995-06-13 JP disclosed
US-4708869-A THICKENERS AND FOAM THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-11-24 US disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP disclosed
EP-0012845-A1 Tetrahydroisoquinoline compounds, process for preparing same and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-07-09 EP disclosed
EP-0006283-A1 Heterotricyclic compounds, processes for their production and pharmaceutical compositions containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-01-09 EP disclosed