SCHEMBL9015757

SCHEMBL9015757

CC(C)(C)c1cc(COC(=O)CCCC(=O)Cl)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.43
GAA P10253 6/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
GMNN O75496 1/20 0.42
GABBR2 O75899 1/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 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
SCHEMBL9015714 0.92 GAA (0.44) VCAM1GAAALDH1A1KMT2ATSHR
SCHEMBL11771112 0.90 VCAM1 (0.48) VCAM1GAAALDH1A1KMT2ATSHR
SCHEMBL11768813 0.83 ELANE (0.48) VCAM1GAAKMT2ATSHRPKM
SCHEMBL11770360 0.83 ELANE (0.48) VCAM1GAAKMT2ATSHRPKM
SCHEMBL9015722 0.82 GAA (0.47) VCAM1GAAALDH1A1KMT2ATSHR
SCHEMBL28912174 0.81 GAA (0.50) GAAALDH1A1KMT2ATSHRMEN1
SCHEMBL3125768 0.81 GAA (0.50) VCAM1GAAALDH1A1KMT2ATSHR
SCHEMBL9015587 0.81 ALDH1A1 (0.47) GAAALDH1A1KMT2ATSHRMEN1
SCHEMBL6696308 0.79 ALDH1A1 (0.46) VCAM1GAAALDH1A1KMT2ATSHR
SCHEMBL6674510 0.78 ALDH1A1 (0.45) VCAM1GAAALDH1A1KMT2ATSHR

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