SCHEMBL8439622

SCHEMBL8439622

COc1ccccc1SC1CC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.56
CRBN Q96SW2 2/20 0.56
CREBBP Q92793 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR1A P08908 1/20 0.40
HTR3A P46098 1/20 0.40
BRD4 O60885 2/20 0.39
HAO1 Q9UJM8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PKM P14618 1/20 0.37
ACHE P22303 1/20 0.37
USP2 O75604 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
SCHEMBL17276655 0.80 ALDH1A1 (0.41) KMT2ACA12CA1CA2CA7
SCHEMBL9259633 0.78 CREBBP (0.44) DDB1CRBNCREBBPHTR1AHTR3A
SCHEMBL17276266 0.75 MTNR1A (0.43) CREBBPMEN1KMT2ABRD4PKM
SCHEMBL17276227 0.75 LDHA (0.38) DDB1CRBNCREBBPMEN1KMT2A
SCHEMBL8438332 0.73 PDE4A (0.46) DDB1CRBNCREBBPL3MBTL1HTR1A
SCHEMBL22623785 0.72 DDB1 (1.00) DDB1CRBN
SCHEMBL17276404 0.71 DDB1 (0.56) DDB1CRBNMEN1KMT2AKDM4E
SCHEMBL8442975 0.70 CRBN (0.55) DDB1CRBNCREBBPMEN1KMT2A
SCHEMBL8522217 0.70 CRBN (0.47) DDB1CRBNCREBBPMEN1KMT2A
SCHEMBL11036165 0.70 CRBN (0.47) DDB1CRBNCREBBPMEN1KMT2A

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