SCHEMBL29951883

SCHEMBL29951883

C#CC(=O)NC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
RAB9A P51151 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA2 P00918 2/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL31743251 0.82 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL20138608 0.82 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL20529494 0.82 MME (0.39) MMERAB9AACECPA1ACE2
SCHEMBL13000309 0.77 CA14 (0.43) SMN1; SMN2ALDH1A1MAPTMEN1TSHR
SCHEMBL24117928 0.77 MME (0.35) MMEACECPA1ACE2ALDH1A1
SCHEMBL10127347 0.77
SCHEMBL20138642 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28077103 0.74 MME (0.37) MMERAB9AACECPA1ACE2
SCHEMBL20858083 0.73
SCHEMBL24837488 0.71 KDM4E (0.36) SMN1; SMN2ALDH1A1MAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed