SCHEMBL9808322

SCHEMBL9808322

CCOC(=O)[C@H]1C[C@@H](CCCP(=O)(O)O)CCN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
GRIN2D O15399 3/20 0.45
GRIN3B O60391 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2B Q13224 3/20 0.45
GRIN2C Q14957 3/20 0.45
GRIN3A Q8TCU5 3/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9808316 1.00 THRB (0.45) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9808318 1.00 THRB (0.45) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9603122 0.84 MEN1 (0.64) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9603127 0.84 MEN1 (0.64) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9603119 0.84 MEN1 (0.64) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9808337 0.81 THRB (0.68) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4575883 0.81 THRB (0.68) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9808268 0.81 THRB (0.68) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9602233 0.81 ARG1 (0.43) THRBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6194188 0.79 GRIN2D (0.41) THRBGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed