SCHEMBL9978520

SCHEMBL9978520

CC(C)(C)c1cccc(NC(=O)CC(CC(=O)Nc2cccc(C(C)(C)C)c2)C(=O)Nc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.55
KCNJ5 P48544 1/20 0.55
KCNJ3 P48549 1/20 0.55
HDAC3 O15379 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FFAR1 O14842 1/20 0.48
NLRP3 Q96P20 1/20 0.48
RAF1 P04049 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
P2RX1 P51575 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL9979086 0.89 KCNJ6 (0.59) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL9979407 0.82 NPC1 (0.49) HDAC3HDAC8HDAC6LMNASMN1; SMN2
SCHEMBL9979425 0.81 HPGD (0.59) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL19728234 0.80 POLB (0.63) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL5950098 0.80 SMN1; SMN2 (0.58) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL17896343 0.79 KCNJ6 (0.58) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL10176304 0.79 HPGD (0.69) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL4007414 0.79 KCNJ6 (0.64) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL13154810 0.79 HDAC3 (0.56) KCNJ6KCNJ5KCNJ3HDAC3HDAC8
SCHEMBL9979079 0.78 HPGD (0.52) NLRP3LMNASMN1; SMN2MEN1KMT2A

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-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed