SCHEMBL30228217

SCHEMBL30228217

Cc1ccccc1-c1cc(=O)oc2cc(N[C@H](C)C(=O)O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.48
▸ KCNA3 P22001 1/20 0.48
▸ HPGD P15428 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CA12 O43570 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ CA1 P00915 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL30228340 1.00 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30228031 0.90 KCNA3 (0.47) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30228413 0.86 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30228294 0.86 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30227984 0.86 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30228444 0.86 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL31711135 0.86 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30228310 0.85 CA12 (0.51) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL31710488 0.85 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1TDP1KCNA3
SCHEMBL30228173 0.84 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1TDP1KCNA3

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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