SCHEMBL30228377

SCHEMBL30228377

Cc1ccccc1-c1cc(=O)oc2cc(NCC(=O)N3CCC[C@H](C(=O)O)C3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ACHE P22303 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL31710619 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL30228588 0.90 MEN1 (0.51) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL30228272 0.89 CHRM2 (0.51) ALDH1A1HPGDL3MBTL1HSD17B10HTT
SCHEMBL30228280 0.89 CHRM2 (0.51) ALDH1A1HPGDL3MBTL1HSD17B10HTT
SCHEMBL31711057 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL30228346 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL31711268 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL31710963 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL30228046 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL30228467 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10

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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