Sugi Predict

Sugi Predict / Compounds / SCHEMBL21621418

SCHEMBL21621418

SCHEMBL21621418

CC(C)(C)OC(=O)N(CCBr)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.67
▸ AKT1 P31749 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30945299 0.87 L3MBTL1 (0.69) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL8300753 0.87 L3MBTL1 (0.69) L3MBTL1AKT1NPSR1HDAC3HDAC1
SCHEMBL6629239 0.85 L3MBTL1 (0.73) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL12643699 0.84 L3MBTL1 (0.64) L3MBTL1AKT1HDAC3HDAC1HDAC2
SCHEMBL8899583 0.84 L3MBTL1 (0.76) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL13823926 0.84 L3MBTL1 (0.72) L3MBTL1
SCHEMBL5713023 0.83 L3MBTL1 (0.63) L3MBTL1AKT1NPSR1HDAC3HDAC1
SCHEMBL9781776 0.83 L3MBTL1 (0.78) L3MBTL1
SCHEMBL9434959 0.83 L3MBTL1 (0.78) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL9434778 0.83 L3MBTL1 (0.78) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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
WO-2020011254-A1 FUSED TRI-CYCLIC COMPOUND AS PDE3/PDE4 DUAL INHIBITOR 正大天晴药业集团股份有限公司 2020-01-16 — — WO disclosed