SCHEMBL30228425

SCHEMBL30228425

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KCNA3 P22001 1/20 0.49
▸ RAB9A P51151 3/20 0.47
▸ CA12 O43570 6/20 0.47
▸ CA9 Q16790 6/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL30228235 0.90 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228290 0.84 MAOB (0.49) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228274 0.82 CA12 (0.70) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL31710488 0.81 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228426 0.81 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228340 0.81 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228217 0.81 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228334 0.79 RAB9A (0.60) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL30228065 0.79 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1KCNA3RAB9A
SCHEMBL22431636 0.78 ALDH1A1 (0.50) ALDH1A1LMNAKCNA3RAB9ACA9

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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