SCHEMBL30228230

SCHEMBL30228230

COC[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.41
▸ CA12 O43570 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ ALDH1A1 P00352 9/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ IGLV6-57 P01721 3/20 0.37
▸ HPGD P15428 8/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL30227894 0.89 KCNA3 (0.42) KCNA3CA12CA9ALDH1A1KDM4E
SCHEMBL30227885 0.89 KCNA3 (0.42) KCNA3CA12CA9ALDH1A1KDM4E
SCHEMBL30228168 0.88 KCNA3 (0.43) KCNA3ALDH1A1KDM4EHTTLMNA
SCHEMBL30228326 0.86 KCNA3 (0.45) KCNA3CA12CA9CA1ALDH1A1
SCHEMBL30228596 0.79 IGLV6-57 (0.46) KCNA3CA12CA9CA1ALDH1A1
SCHEMBL30228592 0.79 KCNA3 (0.40) KCNA3CA12CA9ALDH1A1KDM4E
SCHEMBL30228313 0.79 KCNA3 (0.40) KCNA3CA12CA9ALDH1A1KDM4E
SCHEMBL30228347 0.79 CA12 (0.47) KCNA3CA12CA9CA1ALDH1A1
SCHEMBL30228197 0.79 KCNA3 (0.45) KCNA3CA12CA9ALDH1A1KDM4E
SCHEMBL30228285 0.79 KCNA3 (0.45) KCNA3CA12CA9ALDH1A1KDM4E

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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