SCHEMBL8012007

SCHEMBL8012007

Cc1cccc(C(=O)c2cc(C)ccc2[C]=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP1 P09874 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL4376001 0.89 POLB (0.49) POLBSMN1; SMN2HTTNPSR1NPC1
SCHEMBL23140713 0.87 POLB (0.64) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL9145207 0.86 POLB (0.48) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL363400 0.85 ALDH1A1 (0.52) HDAC6SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL10783038 0.83 POLB (0.58) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL21636267 0.80 POLB (0.62) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL9712382 0.79 RAB9A (0.48) POLBHTTKMT2AALDH1A1NPC1
SCHEMBL910686 0.77 POLB (0.47) POLBHDAC8HDAC6PARP1SMN1; SMN2
SCHEMBL9490579 0.77 MAPT (0.53) POLBSMN1; SMN2HTTKMT2AHPGD
SCHEMBL186545 0.76 PARP1 (0.68) POLBHDAC8HDAC6PARP1SMN1; SMN2

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
US-6096741-A FUNGICIDES, TACHYKININ ANTAGONIST SHIONOGI & CO., LTD. (JP) 2000-08-01 US disclosed