SCHEMBL9340570

SCHEMBL9340570

CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.39
AGTR1 P30556 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL132812 0.95 GAA (0.51) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9345249 0.93 GAA (0.41) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9342618 0.91 GAA (0.48) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL22675716 0.88 GAA (0.47) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL10618619 0.88 GAA (0.44) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL24503462 0.87 GAA (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL10618601 0.87 HSPA5 (0.45) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11619676 0.86 GAA (0.50) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9340568 0.86 GAA (0.38) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11017427 0.85 GAA (0.44) GAAKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421928-B1 Hydroxyphenylcarboxylic acid esters as stabilizers CIBA GEIGY AG (CH) 1994-06-15 EP disclosed
US-5177246-A Hydroxphenylcarboxylic acid esters as stabilizers CIBA-GEIGY CORPORATION (US) 1993-01-05 US disclosed
EP-0421928-A2 Hydroxyphenylcarboxylic acid esters as stabilizers CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed