SCHEMBL20334103

SCHEMBL20334103

CNC(=O)CCOCCCCOC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
DEGS1 O15121 1/20 0.40
EPHX2 P34913 1/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR2 O60603 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13681687 0.87 DEGS1 (0.49) ALDH1A1DEGS1LMNAKMT2ATSHR
SCHEMBL13681690 0.85 DEGS1 (0.48) ALDH1A1DEGS1EPHX2LMNAKMT2A
SCHEMBL13681686 0.85 ALDH1A1 (0.44) ALDH1A1DEGS1LMNAKMT2ATSHR
SCHEMBL20326400 0.82 ALDH1A1 (0.40) ALDH1A1DEGS1EPHX2LMNAKMT2A
SCHEMBL277842 0.81 LMNA (0.43) EPHX2LMNATSHRGAASMN1; SMN2
SCHEMBL20230893 0.80 TLR2 (0.44) ALDH1A1EPHX2LMNAKMT2ATSHR
SCHEMBL22787027 0.80 LMNA (0.50) ALDH1A1LMNAKMT2ATSHRGAA
SCHEMBL19977983 0.79 EPHX1 (0.50) LMNAKMT2ATSHRTLR2CYP3A4
SCHEMBL19977980 0.79 TSHR (0.46) ALDH1A1EPHX2LMNAKMT2ATSHR
SCHEMBL11814798 0.79 ALDH1A1 (0.40) ALDH1A1DEGS1EPHX2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP 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