SCHEMBL9492908

SCHEMBL9492908

CCOCCOc1ccc(CCNCC(CO)c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.42
ADRB1 P08588 5/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
ADRB2 P07550 4/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.36
DRD3 P35462 1/20 0.36
TP53 P04637 1/20 0.35

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
Oxalic Acid SCHEMBL9787761 0.95 ADRB3 (0.45) ADRB3ADRB1LMNAHTTADRB2
SCHEMBL9494401 0.83 ADRB3 (0.53) ADRB3ADRB2MEN1ALDH1A1KMT2A
SCHEMBL9494415 0.83 ADRB3 (0.53) ADRB3ADRB2MEN1ALDH1A1KMT2A
Oxalic Acid SCHEMBL9787778 0.79 ADRB3 (0.55) ADRB3LMNAMEN1ALDH1A1KMT2A
Oxalic Acid SCHEMBL9787821 0.78 ADRB3 (0.45) ADRB3ADRB1LMNAADRB2MEN1
Oxalic Acid SCHEMBL9787715 0.75 ADRB3 (0.49) ADRB3ADRB1LMNAMEN1ALDH1A1
SCHEMBL9492909 0.75 ADRB3 (0.38) ADRB3ADRB1LMNAHTTADRB2
SCHEMBL9787748 0.75 LMNA (0.43) LMNAHTTMEN1ALDH1A1KMT2A
Oxalic Acid SCHEMBL9787807 0.75 ADRB3 (0.54) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL9787785 0.74 ADRB3 (0.47) ADRB3ADRB1ADRB2MEN1ALDH1A1

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