SCHEMBL4626534

SCHEMBL4626534

CC(=O)C(=O)Oc1c[nH]c2cc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.52
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
KIF11 P52732 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTR2A P28223 1/20 0.41
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
IDO1 P14902 1/20 0.38
HTR2C P28335 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
CYP2A6 P11509 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL27920538 0.88 SLC22A6 (0.64) NR4A2HSD17B10KDM4ESLC22A6KIF11
SCHEMBL9012528 0.84 NR4A2 (0.54) NR4A2HSD17B10SLC22A6HTR2AALDH1A1
SCHEMBL125250 0.80 SLC22A6 (0.76) NR4A2KDM4ESLC22A6L3MBTL1LMNA
SCHEMBL1332671 0.76 SLC22A6 (0.49) HSD17B10KDM4ESLC22A6HTR2ALMNA
SCHEMBL17032685 0.76 NR4A2 (0.69) NR4A2HSD17B10KDM4EKIF11L3MBTL1
SCHEMBL8269419 0.75 NR4A2 (0.54) NR4A2HSD17B10KDM4EKIF11HTR2A
SCHEMBL9117858 0.75 SLC22A6 (0.64) NR4A2HSD17B10KDM4ESLC22A6L3MBTL1
SCHEMBL27614790 0.73 NR4A2 (0.49) NR4A2HSD17B10KDM4ESLC22A6KIF11
SCHEMBL8915869 0.71 HTR1B (0.44) HSD17B10KDM4ESLC22A6LMNAHTR2C
SCHEMBL5530414 0.71 SLC22A6 (0.62) NR4A2SLC22A6MTNR1AMTNR1BIDO1

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