SCHEMBL4197237

SCHEMBL4197237

COc1ccc(C(=O)C(C(=O)c2ccccc2)C(C(=O)c2ccc(OC)cc2)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.69
CES1 P23141 2/20 0.69
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
MAPT P10636 3/20 0.62
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
PKM P14618 1/20 0.53
PAX8 Q06710 1/20 0.53

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
SCHEMBL15562904 0.91 CES2 (0.62) CES2CES1NPC1RAB9AMAPT
SCHEMBL7162385 0.89 MAPT (0.60) CES2CES1NPC1RAB9AMAPT
SCHEMBL29589535 0.87 CES2 (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL8736772 0.87 CES2 (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL8736770 0.87 CES2 (0.67) CES2CES1NPC1RAB9AMAPT
SCHEMBL18972860 0.82 CES2 (0.61) CES2CES1NPC1RAB9AMAPT
SCHEMBL324099 0.82 CES2 (0.61) CES2CES1NPC1RAB9AMAPT
SCHEMBL2156563 0.82 CES2 (1.00) CES2CES1NPC1RAB9AMAPT
SCHEMBL6618691 0.82 CES2 (0.77) CES2CES1NPC1RAB9AMAPT
SCHEMBL50261 0.82 CES2 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067421-A1 METHOD FOR TREATING HALOGENATED POLYMERS Baerlocher GmbH (DE) 2022-10-05 EP disclosed
EP-3712204-A1 METAL HYDROXYCARBONATES FOR PIPES Baerlocher GmbH (DE) 2020-09-23 EP disclosed
EP-2886594-A1 Liquid zinc salt preparation as stabilizer for halogenated polymers Baerlocher GmbH (DE) 2015-06-24 EP disclosed
US-20090101871-A1 SOLID SALT PREPARATION, THE PRODUCTION THEREOF AND ITS USE BAERLOCHER GMBH (DE) 2009-04-23 US disclosed