SCHEMBL9768590

SCHEMBL9768590

O=C1NC(=O)c2c(OO)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GSK3B P49841 5/20 0.46
▸ CASP3 P42574 5/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CASP2 P42575 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ STK10 O94804 5/20 0.40
▸ SLK Q9H2G2 5/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ CLK2 P49760 1/20 0.40

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
SCHEMBL384815 0.85 TOP1 (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL29378366 0.85 TOP1 (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL28099802 0.84 GSK3B (0.50) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL262473 0.84 GSK3B (0.50) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL6634972 0.82 KDM4E (0.54) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL8094143 0.82 KDM4E (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7399139 0.80 DDB1 (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5506330 0.80 MAOA (0.51) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4869329 0.80 CA1 (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL28119318 0.80 KDM4E (0.51) KDM4EALDH1A1GAAHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3006228-A — — None — — JP disclosed
JP-H036228-A POLYIMIDE AND COPOLYIMIDE BASED ON DIOXYPHTHALIC ANHYDRIDE OCCIDENTAL CHEM CORP 1991-01-11 — — JP disclosed
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