SCHEMBL30227938

SCHEMBL30227938

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 5/20 0.51
▸ KCNA3 P22001 1/20 0.48
▸ ALDH1A1 P00352 9/20 0.44
▸ HPGD P15428 6/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HSD17B3 P37058 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL30228154 0.93 IGLV6-57 (0.46) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30228131 0.90 IGLV6-57 (0.50) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30228335 0.89 IGLV6-57 (0.49) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30228423 0.89 IGLV6-57 (0.45) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30227948 0.89 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDUSP2HSD17B3
SCHEMBL30228289 0.88 IGLV6-57 (0.48) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30228149 0.88 IGLV6-57 (0.48) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30227912 0.87 IGLV6-57 (0.50) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL30228212 0.85 IGLV6-57 (0.46) IGLV6-57KCNA3ALDH1A1HPGDUSP2
SCHEMBL31710568 0.85 IGLV6-57 (0.52) IGLV6-57KCNA3ALDH1A1HPGDUSP2

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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