SCHEMBL30497944

SCHEMBL30497944

CCC(=O)C(O)(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.53
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.53
GRIN2D O15399 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
OPRD1 P41143 2/20 0.49
CACNA1F O60840 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP2B6 P20813 1/20 0.49
DRD4 P21917 1/20 0.49
OPRK1 P41145 1/20 0.49
CACNA1D Q01668 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
MRGPRX2 Q96LB1 1/20 0.49
CYP2C19 P33261 1/20 0.45

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
SCHEMBL463621 0.83 OPRM1 (0.53) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL10293315 0.81 OPRM1 (0.51) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL13545191 0.81 OPRM1 (0.51) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL12282314 0.81 OPRM1 (0.51) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL13828216 0.80 OPRM1 (0.55) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL28381073 0.80 CYP2C19 (0.42) OPRM1DRD3DRD2CYP2C19HIF1A
SCHEMBL29921428 0.79 OPRM1 (0.50) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL12883298 0.78 HDAC3 (0.53) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL270134 0.78 MAPT (0.57) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL15562485 0.78 OPRM1 (0.49) OPRM1DRD3DRD2GRIN2DGRIN1

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
CN-112888498-B Composition useful for making acid gas separation membranes 住友化学株式会社 2023-07-14 CN claimed
CN-112888498-B Composition useful for making acid gas separation membranes 住友化学株式会社 2023-07-14 CN disclosed