SCHEMBL30227948

SCHEMBL30227948

Cc1cccc(C)c1-c1cc(=O)oc2cc(N(C)CC(=O)O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 6/20 0.51
▸ ALDH1A1 P00352 9/20 0.43
▸ HPGD P15428 7/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ GLA P06280 2/20 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
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HSD17B3 P37058 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 2/20 0.40

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
SCHEMBL30228185 0.91 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30228295 0.89 IGLV6-57 (0.49) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30227938 0.89 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30228372 0.83 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30228341 0.83 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL31710698 0.83 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30228154 0.82 IGLV6-57 (0.46) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30228131 0.81 IGLV6-57 (0.50) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL25279274 0.78 KCNA3 (0.38) IGLV6-57ALDH1A1HPGDHSD17B10CASP1
SCHEMBL30228335 0.78 IGLV6-57 (0.49) IGLV6-57ALDH1A1HPGDHSD17B10CASP1

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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