SCHEMBL9729323

SCHEMBL9729323

NCC(O)CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
ANPEP P15144 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL11337920 0.89 KEAP1 (0.57) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL734049 0.82 USP2 (0.72) USP2SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL12349244 0.82 USP2 (0.54) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15314031 0.80 USP2 (0.52) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10506181 0.79 KEAP1 (0.54) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
Hydroxyamine SCHEMBL1453894 0.79 USP2 (0.50) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27586193 0.79 USP2 (0.50) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2779513 0.79 USP2 (0.75) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2780188 0.79 USP2 (0.75) USP2KEAP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL457031 0.79 USP2 (0.75) USP2KEAP1SMN1; SMN2KDM4EALDH1A1

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-5171753-A Derivatives of 2-amino-1-phenylethanol having antiulcer activity A. H. ROBINS COMPANY, INCORPORATED (US) 1992-12-15 US disclosed