SCHEMBL6562310

SCHEMBL6562310

CC(OC(C)C(=O)O)[C](C(C)OC(C)C(=O)O)C(C)OC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
SLC7A5 Q01650 2/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL375633 0.91 TP53 (0.47) TP53SLC7A5CYP1A2GAACYP2C9
SCHEMBL26110798 0.88 TP53 (0.44) TP53SLC7A5CYP1A2GAACYP2C9
SCHEMBL7505031 0.80 TP53 (0.38) TP53SLC7A5CYP1A2GAACYP2C9
SCHEMBL28632671 0.79
SCHEMBL4332630 0.79
SCHEMBL989972 0.79
SCHEMBL11337345 0.77 TP53 (0.40) TP53SLC7A5CYP1A2GAACYP2C9
SCHEMBL11588540 0.77 TP53 (0.40) TP53SLC7A5CYP1A2GAACYP2C9
Fluoride SCHEMBL9247624 0.77 TP53 (0.40) TP53SLC7A5CYP1A2GAACYP2C9
SCHEMBL6115071 0.74 TP53 (0.38) TP53SLC7A5CYP1A2GAACYP2C9

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-1317422-A4 SUBSTRATE WITH CONTROLLED AMINE DENSITY AND REGULAR SPACING AND METHOD FOR PREPARING THE SAME POSCO (KR) 2004-06-30 EP disclosed
EP-1317422-A1 SUBSTRATE WITH CONTROLLED AMINE DENSITY AND REGULAR SPACING AND METHOD FOR PREPARING THE SAME Posco (KR) 2003-06-11 EP disclosed
WO-2002020469-A1 SUBSTRATE WITH CONTROLLED AMINE DENSITY AND REGULAR SPACING AND METHOD FOR PREPARING THE SAME POHANG IRON & STEEL CO., LTD. (KR) 2002-03-14 WO disclosed