SCHEMBL8438332

SCHEMBL8438332

COc1ccc(SC2CC(=O)N2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
GFER P55789 1/20 0.44
CREBBP Q92793 2/20 0.44
BRD4 O60885 1/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL8442975 0.79 CRBN (0.55) CREBBPBRD4KDM4EDDB1CRBN
SCHEMBL8440828 0.77 DDB1 (0.58) CREBBPBRD4HTR1AHTR3ADDB1
SCHEMBL17276655 0.76 ALDH1A1 (0.41) PDE3BPDE3AKDM4E
SCHEMBL8439622 0.73 DDB1 (0.56) CREBBPBRD4HTR1AHTR3AKDM4E
SCHEMBL9257239 0.73 CRBN (0.51) CREBBPBRD4L3MBTL1DDB1CRBN
SCHEMBL17276659 0.73 MEN1 (0.37) DDB1CRBN
SCHEMBL17276561 0.72 DDB1 (0.55) CREBBPBRD4DDB1CRBN
SCHEMBL9261121 0.71 DDB1 (0.55) CREBBPBRD4HTR1AHTR3AKDM4E
SCHEMBL9256649 0.69 CRBN (0.51) CREBBPDDB1CRBN
SCHEMBL9253852 0.69 CREBBP (0.44) CREBBPBRD4HTR1AHTR3ADDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015179293-A1 SMALL MOLECULE ACTIVATORS AND INHIBITORS OF LECITHIN: CHOLESTEROL ACYLTRANSFERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-26 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed