SCHEMBL30228335

SCHEMBL30228335

Cc1ccccc1-c1cc(=O)oc2cc(N(C)CCC(=O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 5/20 0.49
▸ KCNA3 P22001 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.44
▸ HPGD P15428 6/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ GLA P06280 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B3 P37058 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 2/20 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
SCHEMBL30228447 0.93 KCNA3 (0.44) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228269 0.91 IGLV6-57 (0.46) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228470 0.90 IGLV6-57 (0.48) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228295 0.89 IGLV6-57 (0.49) IGLV6-57ALDH1A1HPGDKDM4EGLA
SCHEMBL30227938 0.89 IGLV6-57 (0.51) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228451 0.88 CA12 (0.56) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228394 0.88 IGLV6-57 (0.41) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228531 0.85 IGLV6-57 (0.41) IGLV6-57ALDH1A1HPGDKDM4EGLA
SCHEMBL30228353 0.85 AR (0.44) IGLV6-57ALDH1A1HPGDKDM4EGLA
SCHEMBL30227917 0.85 IGLV6-57 (0.47) IGLV6-57KCNA3ALDH1A1HPGDKDM4E

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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