SCHEMBL9494401

SCHEMBL9494401

CCOCCOc1ccc(CCNC[C@@H](CO)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.53
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 1/20 0.43
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9494415 1.00 ADRB3 (0.53) ADRB3GAASMN1; SMN2KDM4ETDP1
Oxalic Acid SCHEMBL9787778 0.96 ADRB3 (0.55) ADRB3GAASMN1; SMN2KDM4ETDP1
Oxalic Acid SCHEMBL9787807 0.86 ADRB3 (0.54) ADRB3GAASMN1; SMN2KDM4ETDP1
SCHEMBL9787784 0.86 ADRB3 (0.54) ADRB3GAASMN1; SMN2KDM4ETDP1
Oxalic Acid SCHEMBL9787785 0.85 ADRB3 (0.47) ADRB3GAASMN1; SMN2KDM4ETDP1
Alcohol SCHEMBL9787776 0.85 ADRB3 (0.51) ADRB3GAASMN1; SMN2KDM4ETDP1
Oxalic Acid SCHEMBL9787821 0.84 ADRB3 (0.45) ADRB3GAASMN1; SMN2KDM4ETDP1
Oxalic Acid SCHEMBL9787744 0.83 KDM4E (0.48) ADRB3GAASMN1; SMN2KDM4ETDP1
Oxalic Acid SCHEMBL9787715 0.83 ADRB3 (0.49) ADRB3GAASMN1; SMN2KDM4ETDP1
SCHEMBL9492908 0.83 ADRB3 (0.42) ADRB3SMN1; SMN2TDP1MEN1KMT2A

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-0345591-B1 PROPANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-03-31 EP claimed
US-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed