SCHEMBL30227917

SCHEMBL30227917

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 5/20 0.47
▸ KCNA3 P22001 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HSD17B3 P37058 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL30228263 0.86 KCNA3 (0.47) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228175 0.86 KCNA3 (0.47) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228335 0.85 IGLV6-57 (0.49) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30227938 0.85 IGLV6-57 (0.51) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228267 0.83 IGLV6-57 (0.43) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228649 0.83 IGLV6-57 (0.43) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228470 0.82 IGLV6-57 (0.48) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30228131 0.82 IGLV6-57 (0.50) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL31710568 0.81 IGLV6-57 (0.52) IGLV6-57KCNA3ALDH1A1HPGDKDM4E
SCHEMBL30227929 0.81 IGLV6-57 (0.45) 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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