SCHEMBL8447231

SCHEMBL8447231

O=C(O)CNCC(O)CO.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
TYMP P19971 1/20 0.34
OR51E2 Q9H255 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP1A2 P05177 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TET2 Q6N021 3/20 0.30
GABRR1 P24046 2/20 0.30
KDM4A O75164 2/20 0.30
KDM4C Q9H3R0 2/20 0.30
KDM2A Q9Y2K7 2/20 0.30
TET3 O43151 1/20 0.30

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
SCHEMBL983155 0.98 LMNA (0.36) MAPTGAALMNAALDH1A1SLC22A6
SCHEMBL5014969 0.85 SLC22A6 (0.41) MAPTLMNAALDH1A1SLC22A6PTPN1
Glycerin SCHEMBL1983731 0.83 LMNA (0.47) MAPTLMNAALDH1A1SLC22A6OR51E2
SCHEMBL986003 0.80 PTPN1 (0.40) SLC22A6PTPN1TET2KDM4AKDM4C
SCHEMBL2354293 0.78 TET2 (0.33) MAPTLMNAALDH1A1SLC22A6PTGS2
SCHEMBL24017881 0.77 GAA (0.38) MAPTGAALMNAALDH1A1TYMP
SCHEMBL30849496 0.77 MAOA (0.38) MAPTGAALMNAALDH1A1TYMP
SCHEMBL26292895 0.77 GAA (0.38) MAPTGAALMNAALDH1A1TYMP
SCHEMBL22043854 0.77 PDE4A (0.37) MAPTLMNAALDH1A1OR51E2PTGS2
SCHEMBL2553608 0.77 MME (0.37) MAPTLMNAALDH1A1SLC22A6PTGS2

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
JP-11322688-A None JP disclosed
JP-H11322688-A N-ACYLAMINO ACIDS, ANIONIC SURFACTANT, DETERGENT COMPOSITION CONTAINING THE SAME LION CORP 1999-11-24 JP disclosed