SCHEMBL30228451

SCHEMBL30228451

CN(CCC(=O)O)c1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.56
▸ CA9 Q16790 4/20 0.56
▸ KCNA3 P22001 2/20 0.46
▸ ALDH1A1 P00352 9/20 0.43
▸ HPGD P15428 7/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ IGLV6-57 P01721 1/20 0.43
▸ HSD17B3 P37058 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30228335 0.88 IGLV6-57 (0.49) CA12CA9KCNA3ALDH1A1HPGD
SCHEMBL30228331 0.87 MEN1 (0.43) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30227936 0.85 IGLV6-57 (0.41) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30228353 0.85 AR (0.44) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30228531 0.85 IGLV6-57 (0.41) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30228295 0.82 IGLV6-57 (0.49) CA12CA9ALDH1A1HPGDKDM4E
SCHEMBL30228447 0.81 KCNA3 (0.44) CA12CA9KCNA3ALDH1A1HPGD
SCHEMBL30228394 0.81 IGLV6-57 (0.41) CA12CA9KCNA3ALDH1A1HPGD
SCHEMBL30228269 0.79 IGLV6-57 (0.46) CA12CA9KCNA3ALDH1A1HPGD
SCHEMBL30228470 0.79 IGLV6-57 (0.48) CA12CA9KCNA3ALDH1A1HPGD

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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