SCHEMBL30228285

SCHEMBL30228285

CC[C@@H](C(=O)O)N(C)c1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.45
▸ IGLV6-57 P01721 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HPGD P15428 3/20 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
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 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
SCHEMBL30228197 1.00 KCNA3 (0.45) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30228168 0.89 KCNA3 (0.43) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30228175 0.86 KCNA3 (0.47) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30228263 0.86 KCNA3 (0.47) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30227929 0.83 IGLV6-57 (0.45) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30228311 0.83 IGLV6-57 (0.45) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30228142 0.83 IGLV6-57 (0.45) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30227885 0.82 KCNA3 (0.42) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30227894 0.82 KCNA3 (0.42) KCNA3IGLV6-57ALDH1A1LMNAKDM4E
SCHEMBL30228077 0.79 KCNA3 (0.56) KCNA3IGLV6-57ALDH1A1LMNAKDM4E

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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