SCHEMBL22326223

SCHEMBL22326223

CC(C)(C)C(=O)COCCOCCOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.42
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13028693 0.90 TSHR (0.50) L3MBTL1TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL12622696 0.83 TSHR (0.47) L3MBTL1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL15884132 0.81 L3MBTL1 (0.51) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL22326308 0.81 L3MBTL1 (0.51) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL25533030 0.81 L3MBTL1 (0.51) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL26813320 0.81 L3MBTL1 (0.51) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL20534920 0.81 L3MBTL1 (0.51) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL16346595 0.81 L3MBTL1 (0.51) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL4963940 0.81 NAAA (0.53) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL3543002 0.81 NAAA (0.53) NAAAL3MBTL1TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed