SCHEMBL8655715

SCHEMBL8655715

COC(=O)[C@@H](N)C/C=C\C[C@H](N)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.37
GRIK2 Q13002 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GFPT1 Q06210 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.33
P2RY10 O00398 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A1 P43005 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LTA4H P09960 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
SCHEMBL14150668 1.00 GRIK1 (0.37) GRIK1GRIK2SMN1; SMN2GFPT1CA1
SCHEMBL22109971 1.00 GRIK1 (0.37) GRIK1GRIK2SMN1; SMN2GFPT1CA1
SCHEMBL8655531 1.00 GRIK1 (0.37) GRIK1GRIK2SMN1; SMN2GFPT1CA1
SCHEMBL14227025 1.00 GRIK1 (0.37) GRIK1GRIK2SMN1; SMN2GFPT1CA1
SCHEMBL8655524 1.00 GRIK1 (0.37) GRIK1GRIK2SMN1; SMN2GFPT1CA1
SCHEMBL14227085 0.92 SMN1; SMN2 (0.34) GRIK1GRIK2SMN1; SMN2GFPT1MEN1
SCHEMBL16866044 0.90 SMN1; SMN2 (0.33) GRIK1GRIK2SMN1; SMN2GFPT1MEN1
SCHEMBL9785116 0.88 CYP4F2 (0.34) GRIK1GRIK2SMN1; SMN2GFPT1MEN1
SCHEMBL9785121 0.88 CYP4F2 (0.34) GRIK1GRIK2SMN1; SMN2GFPT1MEN1
SCHEMBL10458346 0.87 ALDH1A1 (0.33) GRIK1GRIK2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195473-B Tricyclic compound as STING agonist and preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
EP-0673388-B1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1998-10-14 EP disclosed
US-5610141-A CELL DIVISION STIMULANT NYCOMED IMAGING AS (NO) 1997-03-11 US disclosed
EP-0673388-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-09-27 EP disclosed
WO-1993024523-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed