SCHEMBL31025865

SCHEMBL31025865

NC(=O)C(O)CC1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
CYP2D6 P10635 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL19532608 1.00 FDPS (0.47) FDPSCYP2D6KMT2AMEN1LMNA
Acrylic Acid SCHEMBL31025863 0.89 MEN1 (0.44) FDPSCYP2D6KMT2AMEN1LMNA
SCHEMBL23193228 0.79 FDPS (0.46) FDPSCYP2D6KMT2AMEN1LMNA
SCHEMBL28172436 0.79 FDPS (0.46) FDPSCYP2D6KMT2AMEN1LMNA
SCHEMBL28172435 0.79 FDPS (0.46) FDPSCYP2D6KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL28152510 0.78 FDPS (0.45) FDPSCYP2D6KMT2AMEN1LMNA
SCHEMBL6129772 0.77
SCHEMBL19143434 0.77
SCHEMBL5084645 0.75 FDPS (0.42) FDPSCYP2D6KMT2AMEN1LMNA
SCHEMBL18542436 0.74 FDPS (0.53) FDPSCYP2D6KMT2AMEN1LMNA

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-118440028-A Water-soluble tetrahydropyrrole lactoyl amide acrylate bio-based monomer and polymer thereof 吉林大学 2024-08-06 CN disclosed