SCHEMBL25904279

SCHEMBL25904279

COc1cccc(CO)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(CO)cccc1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL25911114 0.92 LMNA (0.32) HPGDGAAANO1TSHR
SCHEMBL15237 0.90 CA12 (0.41) CA12CA1CA2CA7CA9
Phosphine SCHEMBL28321500 0.89 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5997256 0.88 PPARA (0.38) CA12CA1CA2CA7CA9
SCHEMBL5997177 0.85 TAS1R3 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5997952 0.84 ITGB1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL5993577 0.84 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL5996300 0.84 MAPT (0.41) CA12CA1CA2CA7CA9
SCHEMBL5996360 0.84 SMN1; SMN2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL68484 0.82 CA12 (0.37) CA12CA1CA2CA7CA9

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
US-11713395-B2 Resin materials for making three-dimensional objects and methods of using the same LUXCREO (BEIJING) INC. (CN) 2023-08-01 US disclosed