SCHEMBL28895101

SCHEMBL28895101

CC(C)c1ccc(-c2ccccc2P=O)c(C(C)C)c1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL17491635 0.76 CA1 (0.33) CA1CA2CA9
SCHEMBL29207568 0.74 GABRA1 (0.41) CA1CA2L3MBTL1
SCHEMBL2733178 0.74 GABRA1 (0.32) CA12CA1CA2CA9
SCHEMBL8166472 0.72 GABRA1 (0.44) CA12CA1CA2CA9L3MBTL1
SCHEMBL10605895 0.72 GABRA1 (0.44) CA12CA1CA2CA9L3MBTL1
SCHEMBL28564162 0.71 PTPN5 (0.34)
SCHEMBL11342 0.71 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL29367513 0.71 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL22634094 0.70 FABP3 (0.37) CA12CA1CA2CA9L3MBTL1
Phosphoric Acid SCHEMBL29184304 0.70 PTPN5 (0.39) CA12CA1CA2CA9L3MBTL1

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-111406059-A Europium complexes 东曹株式会社 2020-07-10 CN disclosed