SCHEMBL30228185

SCHEMBL30228185

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 6/20 0.51
▸ ALDH1A1 P00352 7/20 0.43
▸ HPGD P15428 5/20 0.43
▸ GLA P06280 4/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CA12 O43570 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ HSD17B3 P37058 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38

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
SCHEMBL30227948 0.91 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30228131 0.90 IGLV6-57 (0.50) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30228295 0.84 IGLV6-57 (0.49) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30227938 0.80 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30227869 0.79 IGLV6-57 (0.44) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30228470 0.79 IGLV6-57 (0.48) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30228341 0.78 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL30228372 0.78 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL31710698 0.78 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACASP1
SCHEMBL25275933 0.78 KCNA3 (0.35) IGLV6-57ALDH1A1HPGDHSD17B10L3MBTL1

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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