SCHEMBL5702168

SCHEMBL5702168

CON1CC[C@]1(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
APP P05067 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5701856 1.00 CYP2D6 (0.43) CYP2D6APPCYP2C19CYP3A4CYP2C9
SCHEMBL2770703 0.89 CYP3A4 (0.42) CYP2D6APPCYP2C19CYP3A4CYP2C9
SCHEMBL5701916 0.72 CYP2D6 (0.42) CYP2D6APPCYP2C19CYP3A4CYP2C9
SCHEMBL5702210 0.72 CYP2D6 (0.42) CYP2D6APPCYP2C19CYP3A4CYP2C9
SCHEMBL2772038 0.70 GAA (0.42) CYP2D6APPCYP2C19CYP3A4CYP2C9
SCHEMBL8499616 0.70 MMP2 (0.36) CYP2D6APPCYP2C19CYP3A4CYP2C9
SCHEMBL3067553 0.69 HPGD (0.43) CYP2D6KMT2AGAAMCOLN3ALDH1A1
SCHEMBL27183064 0.67 GAA (0.46) CYP2D6KMT2AGAAMCOLN3HTT
SCHEMBL4004910 0.67 CYP3A4 (0.60) CYP2D6CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL8499613 0.67 MMP9 (0.48) APPHTTALDH1A1MMP1MMP9

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
EP-0974670-B1 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL CO (JP) 2006-09-13 EP disclosed
US-6143554-A Process for producing optically active n-substituted azetidine-2 carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-07 US disclosed
EP-0974670-A2 Process for producing optically active N-substituted azetidine-2-carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-26 EP disclosed