SCHEMBL317478

SCHEMBL317478

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.49
CA1 P00915 4/20 0.49
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
MAPK1 P28482 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL1952392 1.00 CA2 (0.49) CA2CA1TSHRHPGDGRIK1
SCHEMBL1949635 1.00 CA2 (0.49) CA2CA1TSHRHPGDGRIK1
SCHEMBL1949874 0.93 CA1 (0.43) CA2CA1TSHRHPGDFFAR1
SCHEMBL1955120 0.93 CA1 (0.43) CA2CA1TSHRHPGDFFAR1
SCHEMBL316780 0.93 CA1 (0.43) CA2CA1TSHRHPGDFFAR1
SCHEMBL317594 0.91 TSHR (0.44) CA2CA1TSHRHPGDGRIK1
SCHEMBL1953135 0.91 TSHR (0.44) CA2CA1TSHRHPGDGRIK1
SCHEMBL1951438 0.91 TSHR (0.44) CA2CA1TSHRHPGDGRIK1
SCHEMBL1949922 0.85 CNR2 (0.41) TSHRHPGDFFAR1
SCHEMBL317295 0.85 CNR2 (0.41) TSHRHPGDFFAR1

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
WO-2012004160-A1 COMPOSITION FOR PRODUCING POLYMERS, (METH)ACRYLIC POLYMER, COATING AGENT, AND COATING EVONIK RÖHM GMBH (DE) 2012-01-12 WO disclosed