SCHEMBL7436157

SCHEMBL7436157

NC(O)(CCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.51
CA2 P00918 3/20 0.48
CAMK2A Q9UQM7 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR3A P46098 1/20 0.45
BACE1 P56817 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC7A5 Q01650 1/20 0.42

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
SCHEMBL8219953 0.85 GRM2 (0.53) ALDH1A1TAAR1TDP1SLC13A5GRM2
SCHEMBL11088109 0.85 GRM2 (0.53) ALDH1A1TAAR1TDP1SLC13A5GRM2
SCHEMBL7441576 0.85 GRM2 (0.53) ALDH1A1TAAR1TDP1SLC13A5GRM2
SCHEMBL28966331 0.81 BLM (0.65) BLMCA2CAMK2AESR1ESR2
SCHEMBL17768418 0.81 BLM (0.65) BLMCA2CAMK2AESR1ESR2
SCHEMBL31563005 0.80 BLM (0.69) BLMCA2CAMK2AESR1ESR2
SCHEMBL30407061 0.80 GRM2 (0.59) TAAR1CTBP2GRM2GRM3
SCHEMBL25596779 0.77 BLM (0.47) BLMCA2CAMK2AESR1ESR2
SCHEMBL22033166 0.77 BLM (0.47) BLMCA2CAMK2AESR1ESR2
SCHEMBL27550853 0.73 BLM (0.50) BLMCA2CAMK2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US claimed