SCHEMBL30227976

SCHEMBL30227976

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ IGLV6-57 P01721 2/20 0.47
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ AR P10275 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH2 P05091 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41
▸ SORD Q00796 1/20 0.41

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
SCHEMBL30228317 0.90 KCNA3 (0.47) KCNA3ALDH1A1HPGDIGLV6-57LMNA
SCHEMBL30228319 0.90 KCNA3 (0.47) KCNA3ALDH1A1HPGDIGLV6-57LMNA
SCHEMBL30228192 0.88 KCNA3 (0.46) KCNA3ALDH1A1HPGDIGLV6-57LMNA
SCHEMBL30228324 0.88 ALDH1A1 (0.49) KCNA3ALDH1A1HPGDIGLV6-57LMNA
SCHEMBL30228296 0.88 KCNA3 (0.46) KCNA3ALDH1A1HPGDIGLV6-57LMNA
SCHEMBL30227927 0.84 HSD17B10 (0.42) KCNA3ALDH1A1HPGDIGLV6-57KDM4E
SCHEMBL31710481 0.83 KCNA3 (0.52) KCNA3ALDH1A1HPGDIGLV6-57LMNA
SCHEMBL30228338 0.81 KCNA3 (0.50) KCNA3ALDH1A1HPGDIGLV6-57KDM4E
SCHEMBL30228358 0.81 ALDH1A1 (0.51) KCNA3ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL30228381 0.80 KCNA3 (0.56) KCNA3ALDH1A1HPGDLMNAL3MBTL1

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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