SCHEMBL22917564

SCHEMBL22917564

CC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(C)c(O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
POLA1 P09884 1/20 0.60
ANTXR2 P58335 1/20 0.60
SERPINE1 P05121 6/20 0.53
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NSD2 O96028 1/20 0.44
PTGS2 P35354 1/20 0.42
TMPRSS2 O15393 1/20 0.40
USP2 O75604 1/20 0.40
PDE5A O76074 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
SCHEMBL24613993 0.91 POLB (0.71) POLBPOLA1ANTXR2SERPINE1LMNA
SCHEMBL12359408 0.91 POLB (0.71) POLBPOLA1ANTXR2SERPINE1LMNA
SCHEMBL26395237 0.87 POLB (0.65) POLBPOLA1ANTXR2SERPINE1LMNA
SCHEMBL26395225 0.87 POLB (0.65) POLBPOLA1ANTXR2SERPINE1LMNA
SCHEMBL26395218 0.87 POLB (0.65) POLBPOLA1ANTXR2SERPINE1LMNA
SCHEMBL26395266 0.84 POLB (0.57) POLBPOLA1ANTXR2SERPINE1L3MBTL1
SCHEMBL26395247 0.84 POLB (0.57) POLBPOLA1ANTXR2SERPINE1L3MBTL1
SCHEMBL26395260 0.84 POLB (0.57) POLBPOLA1ANTXR2SERPINE1L3MBTL1
SCHEMBL2600381 0.80 CA5A (0.56) POLBLMNAL3MBTL1KDM4EGAA
SCHEMBL24613976 0.79 POLB (0.69) POLBPOLA1ANTXR2SERPINE1LMNA

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
EP-3769785-A1 CARDIAC TARGETING AGENT COMPRISING TANNIC ACID Korea Research Institute of Chemical Technology (KR) 2021-01-27 EP disclosed