SCHEMBL6539571

SCHEMBL6539571

O=[N+]([O-])c1ccc(C[C@@H](CO)N(Cc2ccccc2)C[C@H](O)COc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
PLA2G4B P0C869 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
CACNA1C Q13936 1/20 0.43
MAOB P27338 3/20 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
SCHEMBL6539970 0.94 GAA (0.51) GAAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7039646 0.88 KMT2A (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL7037102 0.87 MAPT (0.39) GAAALDH1A1MAPTLMNAMEN1
SCHEMBL6539034 0.85 MAOB (0.48) GAAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7244637 0.84 CTSV (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL7040318 0.84 CTSV (0.40) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7044399 0.84 CTSV (0.40) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7042572 0.82 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL6478257 0.82 POLB (0.50) GAAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7173615 0.82 AR (0.42)

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
US-6826033-B2 BETA 3 ADRENERGIC RECEPTOR AGONISTS; TREATMENT OF POLLAKIURIA, URINARY INCONTINENCE, OBESITY OR DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20040037022-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-02-26 US disclosed
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed