SCHEMBL20325437

SCHEMBL20325437

CC(C)(CCOC(C)(C)CC(=O)O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.37
CETP P11597 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL23431330 0.86 L3MBTL1 (0.39) ALDH1A1MAPK1L3MBTL1
SCHEMBL19775161 0.83 KDM4E (0.40) ALDH1A1CYP2C19HIF1ASLC6A2SLC6A3
SCHEMBL24022952 0.83 TSHR (0.37) ALDH1A1CYP2C19HIF1ATDP1SLC6A2
SCHEMBL24201120 0.80 CYP2C19 (0.42) ALDH1A1CYP2C19HIF1AKMT2AL3MBTL1
SCHEMBL19775181 0.80 TSHR (0.41) ALDH1A1TDP1SLC6A2TSHRMAPK1
SCHEMBL29191654 0.79 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL19825428 0.79 KDM4E (0.37) ALDH1A1TSHRLMNA
SCHEMBL21327698 0.78 TSHR (0.48) ALDH1A1TDP1SLC6A2TSHRMAPK1
SCHEMBL22170228 0.77 TDP1 (0.40) ALDH1A1TDP1TSHRMAPK1L3MBTL1
SCHEMBL12111482 0.76 PPARG (0.47) ALDH1A1CYP2C19L3MBTL1LMNAMAPT

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-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 WO disclosed