SCHEMBL317594

SCHEMBL317594

C=CC(=O)ONC(=O)C(CCC)CCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA2 P00918 3/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CA1 P00915 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GPR84 Q9NQS5 5/20 0.38
FFAR1 O14842 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL1951438 1.00 TSHR (0.44) TSHRHPGDHDAC7HDAC8HDAC6
SCHEMBL1953135 1.00 TSHR (0.44) TSHRHPGDHDAC7HDAC8HDAC6
SCHEMBL317295 0.93 CNR2 (0.41) TSHRHPGDFFAR1CYP3A4
SCHEMBL1949922 0.93 CNR2 (0.41) TSHRHPGDFFAR1CYP3A4
SCHEMBL317478 0.91 CA2 (0.49) TSHRHPGDCA2GRIK1GRIK2
SCHEMBL1949635 0.91 CA2 (0.49) TSHRHPGDCA2GRIK1GRIK2
SCHEMBL1952392 0.91 CA2 (0.49) TSHRHPGDCA2GRIK1GRIK2
SCHEMBL1948716 0.90 KDM4E (0.45)
SCHEMBL1833850 0.87 TSHR (0.36) TSHRHPGDHDAC8HDAC6CA2
SCHEMBL1837358 0.87 TSHR (0.36) TSHRHPGDHDAC8HDAC6CA2

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
WO-2012004160-A1 COMPOSITION FOR PRODUCING POLYMERS, (METH)ACRYLIC POLYMER, COATING AGENT, AND COATING EVONIK RÖHM GMBH (DE) 2012-01-12 WO disclosed
US-20110136975-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK ROEHM GMBH (DE) 2011-06-09 US disclosed