SCHEMBL7102376

SCHEMBL7102376

CC(=O)C(c1ccc(OCc2ccc(C(F)(F)F)nc2)cc1)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ENPP2 Q13822 4/20 0.43
PTGS2 P35354 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
SLC6A5 Q9Y345 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAOB P27338 1/20 0.40
GRM2 Q14416 1/20 0.40
ACACB O00763 1/20 0.39
MCHR1 Q99705 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
ACACA Q13085 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL7101807 0.79 ALOX5 (0.57) ALOX5HDAC6MAOBACACBFFAR1
SCHEMBL7097990 0.76 FFAR1 (0.53) ALOX5HDAC6MAOBFFAR1
SCHEMBL5880940 0.75 MRGPRX4 (0.44) MRGPRX4GRM2FFAR1
SCHEMBL1508420 0.72 FFAR1 (0.73) FFAR1
SCHEMBL171861 0.71 MRGPRX4 (0.47) MRGPRX4MAOBGRM2
SCHEMBL17141416 0.71 MRGPRX4 (0.54) MRGPRX4MAOBGRM2
SCHEMBL26838881 0.70 ALOX5 (0.84) ALOX5HDAC6
SCHEMBL11232868 0.69 MAOB (0.62) MRGPRX4MAOBGRM2
SCHEMBL2439480 0.69 NPC1 (0.48) CYP3A4
SCHEMBL3281426 0.69 MET (0.52)

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-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed