SCHEMBL8440828

SCHEMBL8440828

COc1cccc(SC2CC(=O)N2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.58
CRBN Q96SW2 3/20 0.58
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
MAPT P10636 1/20 0.40
HTR1A P08908 1/20 0.40
HTR3A P46098 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 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
SCHEMBL8442975 0.81 CRBN (0.55) DDB1CRBNBRD4CREBBPMAPT
SCHEMBL9261121 0.80 DDB1 (0.55) DDB1CRBNBRD4CREBBPMAPT
SCHEMBL8438332 0.77 PDE4A (0.46) DDB1CRBNBRD4CREBBPHTR1A
SCHEMBL9251370 0.76 DDB1 (0.55) DDB1CRBNMAPTALDH1A1ALOX5
SCHEMBL17276398 0.76 ALDH1A1 (0.36) DDB1CRBNCREBBPMAPTALDH1A1
SCHEMBL9253505 0.76 DDB1 (0.55) DDB1CRBNMAPTALDH1A1ALOX5
SCHEMBL17276655 0.75 ALDH1A1 (0.41) MAPTALDH1A1
SCHEMBL11036165 0.75 CRBN (0.47) DDB1CRBNBRD4CREBBPMAPT
SCHEMBL8439360 0.75 CRBN (0.47) DDB1CRBNBRD4CREBBPMAPT
SCHEMBL8522217 0.75 CRBN (0.47) DDB1CRBNBRD4CREBBPMAPT

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 7 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 claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 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
WO-1995002579-A1 SUBSTITUTED AZETIDINONE AMIDE DERIVATIVES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS ZENECA LIMITED (GB) 1995-01-26 WO disclosed