SCHEMBL28831709

SCHEMBL28831709

CC=CCc1cccc(COC)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.44
AGXT P21549 9/20 0.44
CYP3A4 P08684 2/20 0.39
FFAR1 O14842 1/20 0.38
ERN1 O75460 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL487468 0.82 IDO1 (0.48) IDO1AGXTCYP3A4FFAR1ERN1
SCHEMBL8209866 0.81 ERN1 (0.46) IDO1AGXTFFAR1ERN1F2
SCHEMBL23478010 0.79 ALDH1A1 (0.50) CYP3A4ERN1
SCHEMBL16167526 0.79 TP53 (0.41) IDO1
SCHEMBL13749505 0.77 F2 (0.41) IDO1AGXTCYP3A4FFAR1ERN1
SCHEMBL10661820 0.77 PRSS1 (0.48)
SCHEMBL16167023 0.77 ENPP2 (0.55) CYP3A4
SCHEMBL24261209 0.77 ENPP2 (0.55) CYP3A4
SCHEMBL10661810 0.77 PRSS1 (0.48)
SCHEMBL2901465 0.76 ENPP2 (0.54) IDO1AGXTCYP3A4

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-114847358-A Non-dairy cheese replica comprising a coacervate 非凡食品有限公司 2022-08-05 CN disclosed