SCHEMBL9549384

SCHEMBL9549384

C/C=C/C[C@@H](C)[C@H]1OC(C)(C)N(C)[C@@H]1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 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
SCHEMBL8990250 0.65
SCHEMBL4683154 0.61 BRD4 (0.30)
SCHEMBL4675858 0.59
SCHEMBL11585697 0.58 GRIK1 (0.30) GRIK1GRIK2
SCHEMBL11585691 0.58 GRIK1 (0.30) GRIK1GRIK2
SCHEMBL11857180 0.57 GRIK1 (0.54) GRIK1GRIK2
SCHEMBL2917234 0.57 GRIK1 (0.54) GRIK1GRIK2
Acetic Acid SCHEMBL30976733 0.56 GRIK1 (0.44) GRIK1GRIK2
SCHEMBL5314429 0.56
SCHEMBL5314427 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236899-A Enhanced sensitivity to antitumor agents MERCK & CO., INC. (US) 1993-08-17 US disclosed
US-5227467-A Containing fluorinated valine residue MERCK & CO., INC. (US) 1993-07-13 US disclosed
US-4914188-A ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1990-04-03 US disclosed