SCHEMBL8736772

SCHEMBL8736772

COc1ccc(C(=O)C(O)C(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.67
CES1 P23141 2/20 0.67
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
MAPT P10636 3/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 2/20 0.51
PKM P14618 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL4197237 0.87 CES2 (0.69) CES2CES1NPC1RAB9AMAPT
SCHEMBL29589535 0.85 CES2 (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL8736770 0.85 CES2 (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL812736 0.82 LMNA (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL29262742 0.82 LMNA (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL2528895 0.82 LMNA (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL15562904 0.82 CES2 (0.62) CES2CES1NPC1RAB9AMAPT
Benzoin SCHEMBL25372931 0.82 LMNA (0.66) CES2CES1NPC1RAB9AMAPT
SCHEMBL1549080 0.82 CES1 (0.62) CES2CES1NPC1RAB9AMAPT
SCHEMBL7733638 0.81 MAPT (0.66) CES2CES1NPC1RAB9AMAPT

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-0623555-B1 Stabilized, halogen-containing resin composition, and composite metal oxide and process for the production thereof KAISUI KAGAKU KENKYUJO KK (JP) 1998-07-15 EP disclosed
US-5466740-A Stabilized, halogen-containing resin composition, and composite metal oxide and process for the production thereof KABUSHIKI KAISHA KAISUI KAGAKU KENKYOJO (JP) 1995-11-14 US disclosed
EP-0623555-A1 Stabilized, halogen-containing resin composition, and composite metal oxide and process for the production thereof KABUSHIKI KAISHA KAISUI KAGAKU KENKYUJO (JP) 1994-11-09 EP disclosed