SCHEMBL27768512

SCHEMBL27768512

CCOC(C(=O)O)(C(=O)c1ccccc1)C(OCC)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.44
SRC P12931 1/20 0.44
LMNA P02545 3/20 0.42
CES2 O00748 2/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NR4A2 P43354 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL11371306 0.81 CES1 (0.47) CES1SRCLMNACES2MAPT
SCHEMBL34466536 0.79 SRC (0.50) CES1SRCLMNACES2MAPT
SCHEMBL11251806 0.79 CES1 (0.46) CES1SRCLMNACES2MAPT
SCHEMBL9004611 0.79 CES1 (0.46) CES1SRCLMNACES2MAPT
SCHEMBL7741777 0.79 SRC (0.50) CES1SRCLMNACES2MAPT
SCHEMBL28276721 0.79 CES1 (0.58) CES1SRCLMNACES2MAPT
SCHEMBL34466866 0.78 CES1 (0.44) CES1SRCLMNACES2MAPT
SCHEMBL9005043 0.78 CES1 (0.44) CES1SRCLMNACES2MAPT
SCHEMBL10446200 0.78 CES1 (0.53) CES1SRCLMNACES2MAPT
SCHEMBL36702 0.76 CES1 (0.66) CES1SRCLMNACES2MAPT

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
CN-101423570-A Spherical catalytic component for olefin polymerization and catalyst thereof PETROCHINA CO LTD (CN) 2009-05-06 CN disclosed