SCHEMBL8025041

SCHEMBL8025041

CC(C)CC(NC(=O)O)(C(=O)C(Cl)Cl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
OPRM1 P35372 2/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1F O60840 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP2B6 P20813 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MRGPRX2 Q96LB1 1/20 0.38

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
SCHEMBL8034605 0.74 CYP1A2 (0.41) GAAGRIN2DGRIN1GRIN2AGRIN2B
SCHEMBL13740317 0.66 CHRM3 (0.58) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL28564931 0.65 CYP2D6 (0.48) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL3652874 0.65 CYP2D6 (0.48) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL21273795 0.65 CYP1A2 (0.48) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL1394341 0.65 CYP1A2 (0.48) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL3862385 0.65 CYP2C19 (0.43) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL15598278 0.65 GAA (0.44) GAASMN1; SMN2GRIN2DGRIN1GRIN2A
SCHEMBL3018220 0.64 CYP2C19 (0.42) SMN1; SMN2CYP2D6CYP1A2MAPTKIF11
SCHEMBL16732258 0.64 KCNN4 (0.55) GAASMN1; SMN2GRIN2DGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020518-A Process for preparing β-amino-α-hydroxy acid derivatives KANEKA CORPORATION (JP) 2000-02-01 US disclosed