SCHEMBL28564768

SCHEMBL28564768

CC(=O)N/C(C)=C(/C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
TAS2R38 P59533 1/20 0.38
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
NFKB1 P19838 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
EPHX1 P07099 2/20 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
SCHEMBL10791078 0.82 KDM5B (0.33) KDM5BFFAR3LCKFYN
SCHEMBL5315913 0.78 CRBN (0.50) CRBNTAS2R38CA2NFKB1KDM5B
SCHEMBL29356869 0.77 CRBN (0.53) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL24394998 0.74 MEN1 (0.36) KDM4EFFAR3
SCHEMBL2947344 0.74
SCHEMBL20659186 0.73
SCHEMBL6038209 0.73
SCHEMBL15547192 0.72 TRPA1 (0.38)
SCHEMBL13599875 0.71
SCHEMBL24394964 0.71 HDAC3 (0.44) FFAR3

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-112824421-A Chiral phosphine-phosphoramidite ligand and preparation method and application thereof 中国科学院大连化学物理研究所 2021-05-21 CN disclosed