SCHEMBL29329450

SCHEMBL29329450

O=C(O)CC[C@H](NCC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.50
GGH Q92820 1/20 0.50
NR4A2 P43354 1/20 0.50
GAA P10253 2/20 0.49
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
ADAMTS4 O75173 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL19464087 1.00 NAALAD2 (0.50) NAALAD2GGHNR4A2GAAMMP9
SCHEMBL19463712 1.00 NAALAD2 (0.50) NAALAD2GGHNR4A2GAAMMP9
SCHEMBL19463288 0.91 HDAC1 (0.51) NAALAD2GGHNR4A2GAAALDH1A1
SCHEMBL23777360 0.91 HDAC1 (0.51) NAALAD2GGHNR4A2GAAALDH1A1
SCHEMBL10192637 0.88 KMT2A (0.51) NR4A2GAAMMP9ALDH1A1CYP2C19
SCHEMBL14750389 0.88 DPP4 (0.45) NR4A2ALDH1A1CYP2C19SMN1; SMN2TDP1
SCHEMBL10192653 0.88 KMT2A (0.51) NR4A2GAAMMP9ALDH1A1CYP2C19
SCHEMBL11913593 0.88 DPP4 (0.45) NR4A2ALDH1A1CYP2C19SMN1; SMN2TDP1
SCHEMBL10192651 0.88 KMT2A (0.51) NR4A2GAAMMP9ALDH1A1CYP2C19
SCHEMBL11913605 0.85 KMT2A (0.51) NR4A2GAAADAMTS4ALDH1A1CYP2C19

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-12043833-B2 Targeted compositions ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed