SCHEMBL4626532

SCHEMBL4626532

Cc1ccc2c(CC(=O)C(=O)O)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTR2A P28223 1/20 0.55
SLC6A2 P23975 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
NR4A2 P43354 1/20 0.49
ICMT O60725 2/20 0.47
NR3C1 P04150 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 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
SCHEMBL6287419 0.88 HTR2A (0.58) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL25139531 0.84 HTR2A (0.58) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL10123846 0.83 ICMT (0.66) MAPTHTR2ANR4A2ICMTNR3C1
SCHEMBL25139540 0.82 HTR2A (0.55) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL9012524 0.82 ALDH1A1 (0.63) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL14564356 0.81 NR4A2 (0.58) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL14823139 0.79 PKM (0.70) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20119825 0.79 HTR2A (0.63) HPGDMAPTSMN1; SMN2HTR2ANR4A2
SCHEMBL12233833 0.79 HTR2A (0.67) MAPTMEN1KMT2AHTR2ANR4A2
SCHEMBL125249 0.78 MEN1 (1.00) ALDH1A1HPGDMAPTKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529776-B1 Amino acid derivatives and sweetening agent AJINOMOTO KK (JP) 2008-03-05 EP disclosed
US-7244462-B2 Amino acid derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2007-07-17 US disclosed
US-20050118317-A1 Novel amino acid derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2005-06-02 US disclosed
EP-1529776-A2 Amino acid derivatives and sweetening agent Ajinomoto Co., Inc. (JP) 2005-05-11 EP disclosed