SCHEMBL30228074

SCHEMBL30228074

Cc1cccc(C)c1-c1cc(=O)oc2cc(N[C@H](C)CC(=O)O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ HPGD P15428 7/20 0.48
▸ KDM4E B2RXH2 6/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALB P02768 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CTDSP1 Q9GZU7 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
SCHEMBL31710449 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30228276 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL31711135 0.89 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30228294 0.89 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30227984 0.89 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL31710698 0.78 IGLV6-57 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30228341 0.78 IGLV6-57 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30228372 0.78 IGLV6-57 (0.45) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30228217 0.75 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL30228340 0.75 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGLAGAA

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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