SCHEMBL30228438

SCHEMBL30228438

CC(=O)c1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 4/20 0.59
▸ HPGD P15428 3/20 0.48
▸ CA9 Q16790 7/20 0.48
▸ CA12 O43570 6/20 0.48
▸ CA1 P00915 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ HSD17B3 P37058 1/20 0.45
▸ SORD Q00796 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPBWR1 P48145 1/20 0.44

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
SCHEMBL30227982 0.89 KCNA3 (0.55) KCNA3HPGDCA9CA12ALDH2
SCHEMBL30228284 0.86 KCNA3 (0.52) KCNA3HPGDCA9CA12NPC1
SCHEMBL30228546 0.86 KCNA3 (0.52) KCNA3HPGDCA9CA12ALDH2
SCHEMBL30228274 0.83 CA12 (0.70) KCNA3HPGDCA9CA12CA1
SCHEMBL30228398 0.83 NPC1 (0.51) KCNA3HPGDNPC1RAB9AMAOB
SCHEMBL30228312 0.82 KCNA3 (0.46) KCNA3HPGDCA9CA12CA1
SCHEMBL22431749 0.82 CA12 (0.70) KCNA3HPGDCA9CA12ALDH2
SCHEMBL30228248 0.82 CA12 (0.70) KCNA3HPGDCA9CA12ALDH2
SCHEMBL30228412 0.79 KCNA3 (0.62) KCNA3HPGDCA9CA12CA1
SCHEMBL5691199 0.79 KCNA3 (0.62) KCNA3HPGDCA9CA12CA1

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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