SCHEMBL175226

SCHEMBL175226

CC1(OC(=O)CC(O)(CC(=O)O)C(=O)O)CNCCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 9/20 0.36
KDM4E B2RXH2 5/20 0.34
LMNA P02545 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.32
CFD P00746 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL173819 0.87 HTR2A (0.46) HTR2A
Citric Acid SCHEMBL173747 0.83 SLC13A5 (0.39) SLC13A5KDM4ELMNACYP1A2CYP2D6
SCHEMBL174815 0.81 HTR2A (0.40) MEN1KMT2AHTR2A
SCHEMBL173574 0.81 HTR2A (0.39) LMNATDP1MEN1KMT2AHTR2A
SCHEMBL173679 0.79 HTR2A (0.38) LMNAALDH1A1MEN1KMT2AHTR2A
SCHEMBL175131 0.74 HTR2A (0.40) LMNAALDH1A1MEN1KMT2AHTR2A
SCHEMBL174416 0.74 HTR2A (0.40) LMNAALDH1A1MEN1KMT2AHTR2A
Citric Acid SCHEMBL27499903 0.72 PNMT (0.56) SLC13A5KDM4ELMNACYP1A2CYP2D6
SCHEMBL174565 0.72 KIF11 (0.34) MEN1KMT2AHTR2A
Glycolic Acid SCHEMBL174591 0.70 HTR2A (0.41) LMNAHTR2A

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-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed