SCHEMBL13639221

SCHEMBL13639221

C/C=C/CCCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
LTA4H P09960 1/20 0.49
HRH3 Q9Y5N1 5/20 0.48
FFAR4 Q5NUL3 3/20 0.48
FFAR1 O14842 2/20 0.48
BACE1 P56817 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
DHFR P00374 2/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL17138175 0.87 MAPK1 (0.46)
SCHEMBL17138173 0.87 MAPK1 (0.46)
SCHEMBL13918233 0.85 KCNA3 (0.58) HDAC1HDAC2LTA4HHDAC3HDAC4
SCHEMBL17138206 0.82 TSHR (0.45)
SCHEMBL17138205 0.82 TSHR (0.45)
SCHEMBL29565679 0.81 LTA4H (0.51) HDAC1HDAC2LTA4HHRH3FFAR4
SCHEMBL13639157 0.80 KCNA3 (0.61) HDAC1HDAC2LTA4HHDAC3HDAC4
SCHEMBL13639165 0.78 KCNA3 (0.59) HDAC1HDAC2LTA4HHDAC3HDAC4
SCHEMBL12653028 0.78 LTA4H (0.61) HDAC1HDAC2LTA4HHRH3FFAR4
SCHEMBL3770884 0.77 MAOB (0.43) DHFR

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
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed