SCHEMBL13925902

SCHEMBL13925902

C=C1c2ccccc2-c2cccc(C(=O)Nc3cc(C(=O)O)ccc3OC)c21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.62
PPARG P37231 1/20 0.59
PPARA Q07869 1/20 0.59
NR1H4 Q96RI1 1/20 0.59
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
HDAC1 Q13547 4/20 0.52
HDAC6 Q9UBN7 4/20 0.52
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CHEK1 O14757 1/20 0.50
PIM1 P11309 1/20 0.50
MAPK8 P45983 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
LTB4R Q15722 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL13925894 0.91 HDAC8 (0.62) HDAC8PPARGPPARANR1H4HDAC1
SCHEMBL678146 0.89 HDAC8 (0.62) HDAC8PPARGPPARANR1H4RAB9A
SCHEMBL13925815 0.84 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 (0.51) HDAC8LMNAHDAC1
SCHEMBL13926028 0.83 HDAC2 (0.43) HDAC8RAB9AHDAC1KMT2AMEN1
SCHEMBL678987 0.80 HDAC8 (0.62) HDAC8PPARGPPARANR1H4HDAC1
SCHEMBL12356336 0.80 HDAC8 (0.62) HDAC8HDAC1HDAC6
SCHEMBL13926027 0.78 TOP1 (0.43) HDAC8LMNAKMT2AMEN1
SCHEMBL13561126 0.78 HDAC1 (0.79) HDAC8PPARGPPARANR1H4RAB9A
SCHEMBL13925895 0.78 GAA (0.52) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL13925819 0.74 LMNA (0.51) LMNAKMT2AMEN1ALDH1A1

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
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 WO disclosed