SCHEMBL30228322

SCHEMBL30228322

Cc1ccccc1-c1cc(=O)oc2cc(N(C)CC(=O)NCC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.42
▸ HPGD P15428 7/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ IGLV6-57 P01721 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ PTPRC P08575 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL30228596 0.91 IGLV6-57 (0.46) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228423 0.88 IGLV6-57 (0.45) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30227869 0.87 IGLV6-57 (0.44) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30227937 0.84 IGLV6-57 (0.43) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228113 0.84 IGLV6-57 (0.45) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228289 0.84 IGLV6-57 (0.48) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228149 0.84 IGLV6-57 (0.48) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228253 0.84 IGLV6-57 (0.43) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228135 0.83 IGLV6-57 (0.44) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL30228273 0.83 IGLV6-57 (0.43) ALDH1A1HPGDKMT2AMEN1LMNA

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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