SCHEMBL28905917

SCHEMBL28905917

COC(=O)C(C)(O)C(=O)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
SRC P12931 1/20 0.45
KCNN4 O15554 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NR1H3 Q13133 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL28905910 0.80 ALDH1A1 (0.46) SRCKCNN4KMT2AMEN1CYP3A4
SCHEMBL28905923 0.80 ALDH1A1 (0.53) SRCKCNN4KMT2AMEN1CYP3A4
SCHEMBL14246912 0.78 KMT2A (0.48) NOTUMKMT2AMEN1RAB9ANPSR1
SCHEMBL8946139 0.76 KMT2A (0.60) NOTUMKMT2AMEN1RAB9ANPSR1
SCHEMBL28905937 0.75 KMT2A (0.51) KMT2AMEN1RAB9ACYP3A4CYP2C9
SCHEMBL29683640 0.74 NOTUM (0.59) NOTUMKMT2AMEN1RAB9ANPSR1
SCHEMBL11404156 0.73 POLB (0.49) NOTUMKMT2AMEN1RAB9ANPSR1
SCHEMBL491229 0.72 RAB9A (0.54) KMT2AMEN1RAB9ANPSR1SMN1; SMN2
SCHEMBL12083381 0.72 SRC (0.70) SRCKCNN4KMT2ARAB9ANPSR1
SCHEMBL14764968 0.71 KMT2A (0.49) NOTUMKMT2AMEN1RAB9ANPSR1

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
CN-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 CN disclosed