SCHEMBL13209293

SCHEMBL13209293

C=C(C)C(=O)c1cccc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 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
SCHEMBL3753879 0.85 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL12287066 0.83 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL2092812 0.81 PARP1 (0.69) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL5854006 0.80 CA12 (0.55) PARP1MEN1KMT2ATDP1MAPT
SCHEMBL2060236 0.79 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3753584 0.79 CES2 (0.65) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL31529061 0.79 CES2 (0.65) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL29922789 0.79 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL29639739 0.79 PARP1 (0.65) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL29444189 0.79 PARP1 (0.54) PARP1HDAC8HDAC6SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781519-B2 Solubilizer and composition containing same KUREHA CORPORATION (JP) 2010-08-24 US disclosed
US-20070244221-A1 Solubilizer and Composition Containing Same KUREHA CORPORATION (JP) 2007-10-18 US disclosed