SCHEMBL28859005

SCHEMBL28859005

COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(C(C)(C)C)C(C)(C)C.[Pd]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL12929986 0.99 POLB (0.36) POLBGAAGFERCA1CA2
SCHEMBL29355132 0.99 POLB (0.36) POLBGAAGFERCA1CA2
SCHEMBL30966657 0.97 POLB (0.35) POLBGAAGFERCA1CA2
SCHEMBL29639554 0.91 CA1 (0.38) CA1CA2CA7CA9CYP2D6
SCHEMBL28513987 0.90 ALDH1A1 (0.34) POLBGAAGFERCA1CA2
SCHEMBL29358193 0.89 CA1 (0.38) POLBCA1CA2CA7CA9
SCHEMBL352423 0.89 CA1 (0.38) POLBCA1CA2CA7CA9
SCHEMBL12929999 0.87
SCHEMBL19469294 0.86 CA1 (0.36) CA1CA2CA7CA9HDAC4
SCHEMBL21521378 0.83 POLB (0.38) POLBGAAGFERCA1CA2

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-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed