SCHEMBL25227641

SCHEMBL25227641

O=C(NOCCCCO)NOCCCCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HDAC3 O15379 11/20 0.38
HDAC4 P56524 11/20 0.38
HDAC1 Q13547 11/20 0.38
HDAC7 Q8WUI4 11/20 0.38
HDAC2 Q92769 11/20 0.38
HDAC10 Q969S8 11/20 0.38
HDAC11 Q96DB2 11/20 0.38
HDAC8 Q9BY41 11/20 0.38
HDAC6 Q9UBN7 11/20 0.38
HDAC9 Q9UKV0 11/20 0.38
HDAC5 Q9UQL6 11/20 0.38
ACHE P22303 6/20 0.37
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL11308600 0.81 CNR2 (0.39) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL30924503 0.79 GAA (0.44) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL319994 0.75
SCHEMBL28592185 0.74 GAA (0.37) GAAACHE
SCHEMBL1562219 0.73
SCHEMBL28600482 0.73 GAA (0.40) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL140261 0.73 GAA (0.35) GAAACHE
SCHEMBL9801718 0.70 GAA (0.39) GAAACHEGPR84FFAR1FFAR4
SCHEMBL283579 0.70 GAA (0.39) GAAACHEGPR84FFAR1FFAR4
SCHEMBL16618487 0.70 GAA (0.39) GAAACHEGPR84FFAR1FFAR4

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-20230158445-A1 Process for Conversion of Bis(hydroxyethylethoxy)-urea to DGA HUNTSMAN PETROCHEMICAL LLC 2023-05-25 US disclosed