SCHEMBL25757213

SCHEMBL25757213

CCC(C)(CC)NC(=O)c1ccc(C(=O)Nc2ccc(C(C)(CC)CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
TRPV1 Q8NER1 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NR1H4 Q96RI1 4/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 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
SCHEMBL9695836 0.85 SNCA (0.54) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL13930992 0.81 RAB9A (0.71) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL26033254 0.81 MAPT (0.48) HDAC3HDAC6HDAC8TRPV1NPC1
SCHEMBL12086246 0.80 KMT2A (0.52) HDAC3HDAC6HDAC11HDAC8LMNA
SCHEMBL19286573 0.79 TP53 (0.43) HDAC6HDAC8SMN1; SMN2NPC1RAB9A
SCHEMBL12588318 0.76 MAPK1 (0.44) HDAC3HDAC6HDAC11HDAC8NPC1
SCHEMBL21137664 0.75 HDAC1 (0.43) HDAC3HDAC6HDAC11HDAC8SMN1; SMN2
SCHEMBL21215968 0.74 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL13930986 0.74 PLK1 (0.58) HDAC3HDAC6HDAC8SMN1; SMN2RAB9A
SCHEMBL7303163 0.73 HDAC3 (0.86) HDAC3HDAC6HDAC11HDAC8TRPV1

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-2023120687-A1 SECONDARY BATTERY 株式会社村田製作所 2023-06-29 WO disclosed