SCHEMBL9099655

SCHEMBL9099655

CC/C(=C\C#N)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
MCL1 Q07820 1/20 0.30

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
SCHEMBL9099659 1.00 FFAR3 (0.38) FFAR3LDHASRRMCL1
SCHEMBL5857009 0.86 LDHA (0.40) LDHASRR
SCHEMBL9097305 0.83 HDAC3 (0.41) FFAR3LDHASRR
SCHEMBL9097309 0.83 HDAC3 (0.41) FFAR3LDHASRR
SCHEMBL12593429 0.79 MGAM (0.38)
SCHEMBL7596544 0.78
SCHEMBL1763000 0.77 GAA (0.47)
SCHEMBL9408203 0.76 GAA (0.50)
SCHEMBL9408202 0.76 GAA (0.50)
SCHEMBL868459 0.74

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-0609371-B1 THIENOPYRAZINE-2,3-DIONES USEFUL FOR TREATING CNS DISORDERS, AND THEIR PREPARATION. NOVO NORDISK AS (DK) 1996-04-24 EP disclosed
EP-0609371-A1 THIENOPYRAZINE-2,3-DIONES AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1994-08-10 EP disclosed
US-5284847-A Neurological and psychological disorders; antagonist at the glycine binding site on the N-methyl-D-aspartate receptor complex NOVO NORDISK A/S (DK) 1994-02-08 US disclosed
WO-1993008197-A1 THIENOPYRAZINE-2,3-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-29 WO disclosed