SCHEMBL30735679

SCHEMBL30735679

[2H]c1c(C)ccc2c1C1(CC2)CCc2ccc(C)c([2H])c21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
ADRA2A P08913 1/20 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
SCHEMBL30735881 0.85 SIGMAR1 (0.33) SIGMAR1
SCHEMBL30735648 0.78 RXRA (0.33)
SCHEMBL30735764 0.71 ALDH1A1 (0.33) SIGMAR1
SCHEMBL30735672 0.71 ALDH1A1 (0.33) SIGMAR1
SCHEMBL30735913 0.70 CYP3A4 (0.42) SIGMAR1ADRA2A
SCHEMBL30735767 0.70 KIF11 (0.40)
SCHEMBL30735657 0.68 KDM1A (0.41) SIGMAR1
SCHEMBL12387902 0.67 PARP10 (0.39) SIGMAR1ADRA2A
SCHEMBL12389038 0.67 PARP10 (0.39) SIGMAR1ADRA2A
SCHEMBL12387896 0.67 PARP10 (0.39) SIGMAR1ADRA2A

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-117430636-A Chiral spiro phosphoramide compound and preparation method and application thereof 南开大学 2024-01-23 CN disclosed