SCHEMBL6585897

SCHEMBL6585897

OCC(O)Cc1nc(CCCc2cccc(OCc3ccccc3)c2)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
MGLL Q99685 1/20 0.41
BCHE P06276 5/20 0.41
FFAR1 O14842 1/20 0.40
DPYD Q12882 1/20 0.40
NR4A2 P43354 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.39
PTGES O14684 1/20 0.39
MAOB P27338 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL6979240 0.86 CYP4F2 (0.60) CYP4F2CYP4A11CYSLTR2CYSLTR1MGLL
SCHEMBL6976399 0.84 CALM1 (0.37) CYP4F2CYP4A11MGLL
SCHEMBL6976396 0.76 PPARA (0.40) CYSLTR2CYSLTR1FFAR1MAOB
SCHEMBL6585986 0.75 LTA4H (0.59) CYP4F2CYP4A11CYSLTR2CYSLTR1MGLL
SCHEMBL6583968 0.71 CYP4F2 (0.48) CYP4F2CYP4A11MGLLBCHEFFAR1
SCHEMBL3165628 0.70 CYP4F2 (0.81) CYP4F2CYP4A11MGLLBCHEFFAR1
SCHEMBL5760533 0.69 CYP4F2 (0.79) CYP4F2CYP4A11MGLLBCHEFFAR1
SCHEMBL3179250 0.68 CYP4F2 (1.00) CYP4F2CYP4A11MGLLBCHEFFAR1
SCHEMBL5763262 0.67 FFAR1 (0.70) CYP4F2CYP4A11CYSLTR2CYSLTR1MGLL
SCHEMBL7998538 0.67 FFAR1 (0.69) CYP4F2CYP4A11MGLLBCHEFFAR1

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
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed