SCHEMBL9599512

SCHEMBL9599512

CC#CCC(C(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
CTSK P43235 1/20 0.33
CHRM1 P11229 1/20 0.32

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
SCHEMBL11587163 0.90 GRIK1 (0.41) GRIK1GRIK2CTSKCHRM1
SCHEMBL11586875 0.77 CTSK (0.35) GRIK1GRIK2CTSK
SCHEMBL14214372 0.73
SCHEMBL15549648 0.73
SCHEMBL4289130 0.73
SCHEMBL18969754 0.73
SCHEMBL446242 0.73 SLC1A2 (0.32)
SCHEMBL576851 0.73
SCHEMBL12230325 0.73
SCHEMBL25575102 0.73 GRIK1 (0.42) GRIK1GRIK2

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-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 WO disclosed