SCHEMBL8439360

SCHEMBL8439360

O=C1CC(Sc2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.47
DDB1 Q16531 1/20 0.47
CREBBP Q92793 7/20 0.39
BRD4 O60885 6/20 0.39
EP300 Q09472 1/20 0.39
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8522217 1.00 CRBN (0.47) CRBNDDB1CREBBPBRD4EP300
SCHEMBL11036165 1.00 CRBN (0.47) CRBNDDB1CREBBPBRD4EP300
SCHEMBL9256649 0.80 CRBN (0.51) CRBNDDB1CREBBPGAA
SCHEMBL9257239 0.80 CRBN (0.51) CRBNDDB1CREBBPBRD4ALDH1A1
SCHEMBL17276659 0.80 MEN1 (0.37) CRBNDDB1ALDH1A1MAPTKMT2A
SCHEMBL9257109 0.78 CREBBP (0.39) CRBNDDB1CREBBPBRD4ALDH1A1
SCHEMBL9260097 0.78 ALDH1A1 (0.40) CRBNDDB1ALDH1A1MAPTHPGD
SCHEMBL17276398 0.78 ALDH1A1 (0.36) CRBNDDB1CREBBPALDH1A1MAPT
SCHEMBL9251370 0.78 DDB1 (0.55) CRBNDDB1ALDH1A1MAPTHPGD
SCHEMBL9253505 0.78 DDB1 (0.55) CRBNDDB1ALDH1A1MAPTHPGD

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 10 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
US-5591881-A DEGRADING TRIALKYLSILYL PROTECTED-THREONINE WITH NINHYDRIN; PERFORMING HONOR-WORDSWORTH-EMONS REACTION CHOONGWAE PHARMACEUTICAL CO., LTD. (KR) 1997-01-07 US 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
EP-0282241-B1 BETA-LACTAM COMPOUNDS AND PRODUCTION PROCESS THEREOF Tamura, Yasumitsu (JP) 1991-08-14 EP disclosed
US-4918184-A REACTING 1,3-THIAZOLIDINE-2-THIONE DERIVATIVE WITH TIN TRIFLUOROMETHANESULFONATE TO FORM ENOLATE, REACTING WITH SUBSTITUTED AZETIDINONE LEDERLE (JAPAN), LTD. (JP) 1990-04-17 US disclosed
EP-0213610-A1 Azetidin-2-one derivatives and process for production thereof LEDERLE (JAPAN) LTD. (JP) 1987-03-11 EP disclosed
EP-0045198-A2 1,1-Disubstituted carba-2-penems and their production Takeda Chemical Industries, Ltd. (JP) 1982-02-03 EP disclosed