SCHEMBL29656739

SCHEMBL29656739

C=CC(=O)OCCN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 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
SCHEMBL206200 0.79 HTT (0.44) ALDH1A1SMN1; SMN2LMNATHRBTSHR
SCHEMBL7760723 0.76 STAT3 (0.37) ALDH1A1SMN1; SMN2KMT2ALMNAGAA
SCHEMBL1146670 0.75 ATM (0.43) ALDH1A1KMT2ATHRBMEN1TSHR
SCHEMBL4383483 0.75 MAPK1 (0.34) MAPK1
SCHEMBL17532427 0.74 ALDH1A1 (0.51) ALDH1A1KMT2ALMNATHRBGAA
SCHEMBL1403557 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ATHRBMAPK1
SCHEMBL181720 0.73 HTT (0.39) ALDH1A1SMN1; SMN2LMNATHRBTSHR
SCHEMBL13367144 0.73 TSHR (0.43) ALDH1A1SMN1; SMN2KMT2ATHRBMAPK1
SCHEMBL8551817 0.72 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2THRBTSHRCYP3A4
SCHEMBL28013464 0.71 TSHR (0.39) ALDH1A1KMT2ATHRBMEN1TSHR

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-11286340-B2 Group transfer polymerization for the production of functional monomers COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-03-29 US disclosed