SCHEMBL8458667

SCHEMBL8458667

CC(CCC(=O)O)(C(=O)O)N(O)C(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.51
KEAP1 Q14145 1/20 0.50
FFAR1 O14842 2/20 0.47
ALOX5 P09917 4/20 0.47
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 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
SCHEMBL8459977 0.78 ALDH1A1 (0.41) KMT2AHDAC3HDAC4HDAC1SMN1; SMN2
SCHEMBL8458616 0.75 ALDH1A1 (0.40) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL7452861 0.74 KMT2A (0.54) KMT2AL3MBTL1MEN1HTTKEAP1
SCHEMBL5145695 0.72 KEAP1 (0.59) KMT2AL3MBTL1MEN1HTTKEAP1
SCHEMBL448875 0.71 ALOX5 (0.77) KMT2AL3MBTL1MEN1HTTKEAP1
Phenyl Propionic Acid SCHEMBL7636781 0.70 KEAP1 (0.91) KEAP1FFAR1HDAC3MAPK1ADRA1A
Phenyl Propionic Acid SCHEMBL3419 0.70 KEAP1 (1.00) KEAP1FFAR1HDAC3MAPK1ADRA1A
Phenyl Propionic Acid SCHEMBL13618844 0.70 KEAP1 (1.00) KEAP1FFAR1HDAC3MAPK1ADRA1A
Phenyl Propionic Acid SCHEMBL27523271 0.70 KEAP1 (1.00) KEAP1FFAR1HDAC3MAPK1ADRA1A
Phenyl Propionic Acid SCHEMBL29619843 0.70 KEAP1 (1.00) KEAP1FFAR1HDAC3MAPK1ADRA1A

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-5962521-A PROSTATE GLANDS DISORDERS GUILFORD PHARMACEUTICALS INC. (US) 1999-10-05 US disclosed