SCHEMBL29564497

SCHEMBL29564497

O=C(c1cccc(-c2ccc(-c3ccccc3)c(-c3cccc(C(=O)C4CCC(C(=O)O)C(C(=O)O)C4)c3)n2)c1)C1CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.39
▸ ADORA1 P30542 8/20 0.39
▸ ADORA3 P0DMS8 6/20 0.39
▸ ADORA2B P29275 3/20 0.39
▸ KDM2B Q8NHM5 2/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ VCP P55072 1/20 0.34

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
SCHEMBL28700750 0.82 ADORA2A (0.42) ADORA2AADORA1ADORA3KDM2BFFAR4
SCHEMBL28699472 0.73 ADORA3 (0.45) ADORA2AADORA1ADORA3VCP
SCHEMBL29564258 0.66 ACMSD (0.47) ALDH1A1
SCHEMBL2980743 0.66 AKR1C3 (0.56) —
SCHEMBL2980744 0.66 AKR1C3 (0.56) —
SCHEMBL2980746 0.66 AKR1C3 (0.56) —
SCHEMBL28700825 0.64 AKR1C3 (0.37) —
SCHEMBL834140 0.64 MEN1 (0.52) ADORA2AADORA1ALDH1A1
SCHEMBL2987582 0.63 ALDH1A1 (0.53) ALDH1A1
SCHEMBL2987579 0.63 ALDH1A1 (0.53) ALDH1A1

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
CN-113968971-B Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-05-27 — — CN disclosed
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