SCHEMBL10927168

SCHEMBL10927168

CC(=O)Nc1ccc(SCC(O)C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ USP2 O75604 1/20 0.49
▸ GFER P55789 2/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MB P02144 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CA3 P07451 1/20 0.43

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
SCHEMBL10929064 0.77 GAA (0.48) GAAUSP2GFERRAB9ANPC1
SCHEMBL9518238 0.77 GAA (0.71) GAAUSP2GFERRAB9ANPC1
SCHEMBL31065560 0.76 GAA (0.60) GAAUSP2GFERRAB9ANPC1
SCHEMBL6033907 0.75 GAA (0.69) GAAUSP2RAB9ANPC1MEN1
SCHEMBL10630225 0.74 HPGD (0.44) GAARAB9ANPC1MEN1KMT2A
SCHEMBL11002802 0.72 GAA (1.00) GAAUSP2RAB9ANPC1MEN1
SCHEMBL11841835 0.72 GAA (0.65) GAAUSP2GFERRAB9ANPC1
SCHEMBL5962397 0.72 SMN1; SMN2 (0.55) GAARAB9ANPC1MEN1KMT2A
SCHEMBL29951045 0.71 GAA (0.63) GAAUSP2RAB9ANPC1MEN1
SCHEMBL9751770 0.71 GAA (0.63) GAAUSP2RAB9ANPC1MEN1

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
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 — — US disclosed
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