SCHEMBL7763989

SCHEMBL7763989

COc1ccc(OC(CC(OC(=O)CC(O)(CC(=O)O)C(=O)O)N(C)C)c2cccs2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
SLC13A5 Q86YT5 3/20 0.33
SLC6A9 P48067 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GMNN O75496 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10102 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1PKMSLC6A9KDM4E
Citric Acid SCHEMBL7763981 0.82 SLC6A9 (0.41) ALDH1A1L3MBTL1SLC6A9KDM4EMEN1
SCHEMBL4297 0.78 SLC13A5 (0.38) SLC13A5LMNA
SCHEMBL10451 0.75 PPARG (0.39) ALDH1A1SLC6A9KDM4EMEN1KMT2A
SCHEMBL9499114 0.74 SLC6A9 (0.39) ALDH1A1L3MBTL1SLC6A9KDM4EMEN1
SCHEMBL3486 0.74 TRPM8 (0.42) ALDH1A1SLC6A9KDM4EMEN1KMT2A
SCHEMBL10539 0.74 SLC7A5 (0.52) SLC6A9KDM4EMEN1KMT2ALMNA
SCHEMBL5304100 0.70 SLC13A5 (0.35) SLC13A5KDM4ELMNA
SCHEMBL3312478 0.69 SLC6A2 (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
Oxalic Acid SCHEMBL10101 0.69 SLC6A9 (0.47) ALDH1A1SLC6A9NPSR1SLC7A5

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-0654264-B1 Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence LILLY CO ELI (US) 2001-05-30 EP disclosed
EP-0654264-A1 Treatment of incontinence with venlafaxine or an aryloxy propanamine compound ELI LILLY AND COMPANY (US) 1995-05-24 EP disclosed