SCHEMBL9735515

SCHEMBL9735515

O=C(O)CCCCC(=O)c1ccc(O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PDE4B Q07343 1/20 0.45
GRIN2B Q13224 3/20 0.44
SNCA P37840 1/20 0.44
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9734572 0.90 LMNA (0.50) LMNAKDM4EHSD17B10RAB9AGRIN2B
SCHEMBL6691458 0.87 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6359903 0.86 HDAC6 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3085195 0.81 SNCA (0.47) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL9212049 0.81 GAA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8053366 0.80 GRIN2B (0.44) LMNAKDM4EHSD17B10NPC1RAB9A
SCHEMBL10657009 0.79 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7683827 0.78 ADRA1A (0.44) HDAC3HDAC1LMNAKDM4EHSD17B10
SCHEMBL28440957 0.77 SNCA (0.50) LMNAKDM4EHSD17B10GRIN2BSNCA
SCHEMBL3866967 0.77 NPC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135940-A Antiallegens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1992-08-04 US disclosed
EP-0252639-A1 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1988-01-13 EP disclosed
EP-0104885-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1986-06-04 EP disclosed
EP-0156233-A2 Use of leukotriene antagonists for producing cytoprotective pharmaceutical compositions and process for producing cytoprotective pharmaceutical compositions MERCK & CO. INC. (US) 1985-10-02 EP disclosed
EP-0104885-A1 Leukotriene antagonists, their production, and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-04-04 EP disclosed