SCHEMBL7109565

SCHEMBL7109565

CCCCC1=C([Si](C)(C)C2=C(CCCC)[CH]c3cccc(-c4ccc(CCC)cc4)c32)c2c(cccc2-c2ccc(CCC)cc2)[CH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
TLR8 Q9NR97 1/20 0.34
RAB9A P51151 5/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
BRS3 P32247 2/20 0.33
AGTR1 P30556 1/20 0.32
MAPT P10636 3/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NFKB1 P19838 1/20 0.32
S1PR1 P21453 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL7106920 0.96 HSD11B1 (0.38) HSD11B1TLR8RAB9ANPC1SMN1; SMN2
SCHEMBL7110767 0.95 KDM4E (0.38) HSD11B1TLR8RAB9ASMN1; SMN2TP53
SCHEMBL7103912 0.95 HSD11B1 (0.37) HSD11B1TLR8RAB9ANPC1SMN1; SMN2
SCHEMBL7108900 0.93 KDM4E (0.40) HSD11B1TLR8RAB9ASMN1; SMN2TP53
SCHEMBL7111531 0.93 KDM4E (0.40) HSD11B1TLR8RAB9ASMN1; SMN2TP53
SCHEMBL7105395 0.93 TLR8 (0.34) HSD11B1TLR8RAB9ANPC1SMN1; SMN2
SCHEMBL7109432 0.91 KDM4E (0.41) HSD11B1TLR8RAB9ASMN1; SMN2TP53
SCHEMBL7108745 0.90 KDM4E (0.40) HSD11B1TLR8RAB9ASMN1; SMN2TP53
SCHEMBL7109744 0.90 SMN1; SMN2 (0.34) HSD11B1TLR8RAB9ANPC1SMN1; SMN2
SCHEMBL7111520 0.88 TLR8 (0.38) HSD11B1TLR8RAB9ANPC1SMN1; 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
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed