SCHEMBL30228290

SCHEMBL30228290

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ ALB P02768 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ CA12 O43570 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ AR P10275 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 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
SCHEMBL30228425 0.84 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1RAB9ATDP1
SCHEMBL30228426 0.84 ALDH1A1 (0.52) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228464 0.83 MAOB (0.62) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228153 0.82 CA12 (0.53) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228173 0.81 ALDH1A1 (0.51) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228358 0.81 ALDH1A1 (0.51) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228560 0.79 RAB9A (0.47) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228235 0.79 ALDH1A1 (0.48) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228128 0.79 CA12 (0.54) MAOBALBALDH1A1LMNAL3MBTL1
SCHEMBL30228274 0.78 CA12 (0.70) ALDH1A1LMNAL3MBTL1RAB9ATDP1

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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