SCHEMBL30801347

SCHEMBL30801347

CC(COOC(C)(C)C)c1cccc(OOC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CASR P41180 2/20 0.32
PTGS1 P23219 1/20 0.32
AOC3 Q16853 2/20 0.31
RIPK1 Q13546 1/20 0.30
FAAH O00519 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL449071 0.87 RIPK1 (0.35) CASRRIPK1
SCHEMBL4074326 0.83 HDAC4 (0.37) KDM4ETSHRCASRRIPK1ACHE
SCHEMBL1576279 0.80 KDM4E (0.44) KDM4ETSHRPTGS1ACHE
SCHEMBL30417990 0.80 KDM4E (0.44) KDM4ETSHRPTGS1ACHE
SCHEMBL7933687 0.80 RIPK1 (0.31) RIPK1
SCHEMBL1077953 0.79 RIPK1 (0.48) TSHRCASRAOC3RIPK1
SCHEMBL4664725 0.78
SCHEMBL17710275 0.77 MAPK1 (0.49) CASRRIPK1
SCHEMBL449053 0.76
SCHEMBL361156 0.76 RIPK1 (0.35) TSHRRIPK1

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
CN-117596924-A Display device and method for manufacturing the same 三星显示有限公司 2024-02-23 CN disclosed