SCHEMBL9015722

SCHEMBL9015722

CC(C)(C)c1cc(COC(=O)CCC(=O)OOC(=O)CCC(=O)OCc2cc(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 5/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
VCAM1 P19320 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11771112 0.89 VCAM1 (0.48) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL9015697 0.89 GAA (0.41) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL9015714 0.88 GAA (0.44) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL3125768 0.85 GAA (0.50) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL6696308 0.84 ALDH1A1 (0.46) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL6674510 0.83 ALDH1A1 (0.45) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL11768813 0.82 ELANE (0.48) GAATSHRKMT2AVCAM1HTT
SCHEMBL9015757 0.82 VCAM1 (0.43) GAAALDH1A1TSHRKMT2AMAPK1
SCHEMBL11770360 0.82 ELANE (0.48) GAATSHRKMT2AVCAM1HTT
SCHEMBL9015705 0.82 GAA (0.62) GAAALDH1A1TSHRKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed