SCHEMBL7203384

SCHEMBL7203384

OB(O)c1cccc(F)c1F.[Li]CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.41
LPL P06858 6/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MGLL Q99685 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 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
SCHEMBL4384 0.82 CES2 (0.43) CES2BCHECES1
SCHEMBL29399046 0.82 CES2 (0.43) CES2BCHECES1
Hydrochloric Acid SCHEMBL29017070 0.80 CES2 (0.41) CES2BCHECES1
SCHEMBL7208785 0.72 LIPG (0.51) LIPGLPLMEN1KMT2ATRPV1
SCHEMBL7526784 0.71 PPARG (0.38) SMN1; SMN2CES2CES1MEN1KMT2A
SCHEMBL25745449 0.71 ENPP2 (0.42) LIPG
SCHEMBL9751833 0.70 SCN8A (0.41) LIPGMEN1KMT2A
SCHEMBL4820725 0.70 LIPG (0.39) LIPGLPLSMN1; SMN2MEN1KMT2A
SCHEMBL1074082 0.69 CES2 (0.43) CES2BCHECES1
SCHEMBL9627 0.68 ACHE (0.39) SMN1; SMN2CES2CES1

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-2003024903-A1 LIQUID CRYSTAL COMPOUNDS WITH BRANCHED OR CYCLIC END GROUPS QINETIQ LIMITED (GB) 2003-03-27 WO disclosed