SCHEMBL9787784

SCHEMBL9787784

CCOCCOc1ccc(CCNCC(COC(=O)C(=O)OCC(CNCCc2ccc(OCCOCC)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.54
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB1 P08588 3/20 0.44
LTA4H P09960 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.43
ADRB2 P07550 1/20 0.43

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
Alcohol SCHEMBL9787776 0.94 ADRB3 (0.51) ADRB3KDM4EGAASMN1; SMN2TDP1
SCHEMBL9787809 0.89 ADRB3 (0.51) ADRB3MEN1KMT2AADRB1
Oxalic Acid SCHEMBL9787778 0.87 ADRB3 (0.55) ADRB3KDM4EGAASMN1; SMN2TDP1
SCHEMBL9494415 0.86 ADRB3 (0.53) ADRB3KDM4EGAASMN1; SMN2TDP1
SCHEMBL9494401 0.86 ADRB3 (0.53) ADRB3KDM4EGAASMN1; SMN2TDP1
Alcohol SCHEMBL9787806 0.86 ADRB3 (0.50) ADRB3ADRB1
SCHEMBL9787723 0.83 ACACB (0.51) ADRB3MEN1KMT2AADRB1ADRB2
SCHEMBL9787801 0.80 ADRB3 (0.51) ADRB3KDM4EGAASMN1; SMN2TDP1
Oxalic Acid SCHEMBL9787807 0.78 ADRB3 (0.54) ADRB3KDM4EGAASMN1; SMN2TDP1
Alcohol SCHEMBL9787714 0.78 ACACB (0.48) ADRB3ADRB1ADRB2

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-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed