SCHEMBL4552830

SCHEMBL4552830

C#Cc1ccc(Oc2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APP P05067 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP10 Q53GL7 1/20 0.44
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL187127 0.93 CA1 (0.58) LTA4HCA1CA2CA7CA9
SCHEMBL30998834 0.91 CA1 (0.55) LTA4HCA1CA2CA7CA9
SCHEMBL31403396 0.91 CA1 (0.55) LTA4HCA1CA2CA7CA9
SCHEMBL30998827 0.91 CA1 (0.55) LTA4HCA1CA2CA7CA9
SCHEMBL30998823 0.91 CA1 (0.55) LTA4HCA1CA2CA7CA9
SCHEMBL2187923 0.88 HAO1 (0.44) LTA4HCA1CA2CA9CA12
SCHEMBL709673 0.86 APP (0.63) CA1CA2CA7CA9CA12
SCHEMBL6736458 0.84 APP (0.50) LTA4HCA1CA2CA7CA9
SCHEMBL7038781 0.81 HAO1 (0.41) LTA4HCA1CA2CA9CA12
SCHEMBL10370252 0.81 PKM (0.47) CA1CA2CA7CA9CA12

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-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed