SCHEMBL20323922

SCHEMBL20323922

CCOCCC(=O)N1CCN(c2ccc(CNI)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ ME2 P23368 1/20 0.48
▸ ME1 P48163 1/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ MAPT P10636 13/20 0.47
▸ HTT P42858 4/20 0.47
▸ GAA P10253 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ GFER P55789 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL20075898 0.89 ALDH1A1 (0.52) ALDH1A1ME2ME1ME3MAPT
SCHEMBL21026182 0.86 ME2 (0.49) ALDH1A1ME2ME1ME3MAPT
SCHEMBL18551215 0.81 MAPT (0.46) ALDH1A1ME2ME1ME3MAPT
SCHEMBL30230328 0.77 MAPT (0.49) ALDH1A1ME2ME1ME3MAPT
SCHEMBL18591763 0.76 MAPT (0.47) ALDH1A1ME2ME1ME3MAPT
SCHEMBL23664609 0.74 SMN1; SMN2 (0.45) ALDH1A1ME2ME1ME3MAPT
SCHEMBL27399979 0.73 NCF1 (0.48) ALDH1A1HTTKDM4EMAPK1TDP1
SCHEMBL12826300 0.72 MAPT (0.54) ALDH1A1ME2ME1ME3MAPT
SCHEMBL19977463 0.68 RAB9A (0.44) ALDH1A1HTTKDM4ETSHRSMN1; SMN2
SCHEMBL8230640 0.68 GFER (0.59) ALDH1A1MAPTGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097251-A1 OLIGONUCLEOTIDE-CONTAINING TRANSCRIPTION FACTOR TARGETING CHIMERAS YALE UNIVERSITY (US) 2023-06-01 — — WO disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 — — WO disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 — — WO disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 — — WO disclosed
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 — — WO disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 — — WO disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 — — WO disclosed
WO-2018119357-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE Arvinas, Inc. (US) 2018-06-28 — — WO disclosed
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