SCHEMBL24333352

SCHEMBL24333352

COC1=CCC=C(COC2=CC(=O)N[C@H]2Cc2ccc(OC)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP3 P08254 1/20 0.34
TLR9 Q9NR96 1/20 0.32
CACNA1G O43497 1/20 0.31

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
SCHEMBL20734910 0.78 MMP1 (0.48) HRH3MMP1MMP9MMP3CACNA1G
SCHEMBL20734861 0.77 FFAR1 (0.44) GLANPSR1
SCHEMBL20734860 0.77 FFAR1 (0.44) GLANPSR1
SCHEMBL20734814 0.75 HPGD (0.40) GLANPSR1MMP1MMP9MMP3
SCHEMBL20734875 0.74 ALDH1A1 (0.41) MMP1MMP9MMP3
SCHEMBL24333180 0.74 HTT (0.41) GLANPSR1
SCHEMBL20734813 0.74 ALDH1A1 (0.41) MMP1MMP9MMP3
SCHEMBL20734918 0.72 AKR1B1 (0.42) MMP1MMP9MMP3
SCHEMBL20734917 0.72 AKR1B1 (0.42) MMP1MMP9MMP3
SCHEMBL24333201 0.69 TACR2 (0.32) MMP1MMP9MMP3

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
EP-3647306-B1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR BEIJING JOEKAI BIOTECH LLC (CN) 2022-04-06 EP disclosed