SCHEMBL7467180

SCHEMBL7467180

CCCC(CCC)OB(OC(CCC)CCC)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 2/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
POLB P06746 2/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CTSK P43235 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TRPM2 O94759 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL2885875 0.82 SMN1; SMN2 (0.39) PCSK9SMN1; SMN2AOC3ORAI1ORAI2
SCHEMBL5951659 0.75 PCSK9 (0.46) PCSK9POLBCTSKKDM4EALDH1A1
SCHEMBL2400555 0.72 ORAI1 (0.40) PCSK9SMN1; SMN2AOC3ORAI1ORAI2
SCHEMBL7796509 0.68 MEN1 (0.42) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL7841888 0.68 SLC6A4 (0.43) PPARGPPARAPOLBKDM4ECA4
SCHEMBL907509 0.67 TSHR (0.40) PCSK9ORAI1ORAI2ORAI3TRPV6
SCHEMBL14779123 0.65 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1CYP1A2HPGD
SCHEMBL7469688 0.65 ANPEP (0.38) AOC3KDM4EMEN1TRPM2ALDH1A1
SCHEMBL13672306 0.65 TSHR (0.44) PPARGPPARAPOLBCTSKMEN1
SCHEMBL3289446 0.65 PCSK9 (0.52) PCSK9SMN1; SMN2KDM4EMEN1TRPM2

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
EP-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed