SCHEMBL7440716

SCHEMBL7440716

NC(O)(CC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 3/20 0.47
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
TRPA1 O75762 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 1/20 0.45
NR4A2 P43354 1/20 0.45
POLB P06746 2/20 0.44

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
SCHEMBL7441224 0.85 NPC1 (0.47) TDP1MAPTCYP3A4HPGDKDM4E
SCHEMBL3742612 0.82 TDP1 (0.52) TDP1MAPTCYP3A4KMT2AMAPK1
SCHEMBL4905808 0.79 TDP1 (0.58) TDP1MAPTCYP3A4KMT2AMAPK1
Methylamine SCHEMBL13837152 0.78 MAPT (0.48) TDP1MAPTCYP3A4KMT2AMAPK1
SCHEMBL19619388 0.78 MAPT (0.52) TDP1MAPTCYP3A4KMT2AMAPK1
SCHEMBL3754394 0.78 MAPT (0.52) TDP1MAPTCYP3A4KMT2AMAPK1
Hydrochloric Acid SCHEMBL10431496 0.76 MAPT (0.50) TDP1MAPTCYP3A4KMT2AMAPK1
SCHEMBL10393811 0.76 KMT2A (0.45) TDP1MAPTCYP3A4KMT2AMAPK1
SCHEMBL379725 0.75 KMT2A (0.54) TDP1MAPTCYP3A4KMT2AMAPK1
SCHEMBL5964067 0.75 GSK3B (0.56) TDP1MAPTCYP3A4KMT2AMAPK1

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