SCHEMBL29951999

SCHEMBL29951999

CC(NCC(N)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.34
SLC7A5 Q01650 2/20 0.34
TGFBR1 P36897 1/20 0.34
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ECE1 P42892 3/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2132525 0.80 ALDH1A1 (0.43) MMEACECPA1ACE2ECE1
SCHEMBL2805307 0.80 ALDH1A1 (0.43) MMEACECPA1ACE2ECE1
SCHEMBL1700840 0.80 ALDH1A1 (0.43) MMEACECPA1ACE2ECE1
SCHEMBL16790440 0.79 CA14 (0.45) ALOX15KMT2A
SCHEMBL3442583 0.78 ALDH1A1 (0.36) GABRR1MMEACECPA1ACE2
SCHEMBL596423 0.78 ALDH1A1 (0.36) GABRR1MMEACECPA1ACE2
SCHEMBL667846 0.78 ALDH1A1 (0.41) MMEACECPA1ACE2ECE1
Hydrochloric Acid SCHEMBL10578120 0.78 ALDH1A1 (0.41) MMEACECPA1ACE2ECE1
SCHEMBL14056387 0.78 ALDH1A1 (0.41) MMEACECPA1ACE2ECE1
SCHEMBL31000621 0.77 ALDH1A1 (0.41) MMEACECPA1ACE2ECE1

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