SCHEMBL28906321

SCHEMBL28906321

C=C(C)C(=O)c1ccnnn1.CCCCCC(CC)(CC)Oc1ccccc1O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PTGS2 P35354 3/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL16167433 0.81 CNR1 (0.39) CNR1CNR2PTGS2
SCHEMBL15901669 0.78 CNR1 (0.35) CNR1CNR2
SCHEMBL148644 0.77 CNR1 (0.45) CNR1CNR2PTGS2
SCHEMBL491257 0.77 CNR1 (0.36) CNR1CNR2
SCHEMBL64303 0.77 CNR1 (0.45) CNR1CNR2PTGS2
SCHEMBL1276209 0.77 CNR1 (0.36) CNR1CNR2
SCHEMBL28914891 0.76 CNR1 (0.44) CNR1CNR2
Guaiacol SCHEMBL29291132 0.76 CNR1 (0.44) CNR1CNR2PTGS2
SCHEMBL28661945 0.73 CNR1 (0.35) CNR1CNR2
Guaiacol SCHEMBL1907793 0.73 TP53 (0.51) CNR1CNR2PTGS2

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-105935193-B Antibacterial cosmetic container with impregnated material therein DMT株式会社 2021-01-08 CN disclosed