SCHEMBL6979240

SCHEMBL6979240

OCCc1nc(CCCc2cccc(OCc3ccccc3)c2)c[nH]1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
MGLL Q99685 1/20 0.45
BCHE P06276 5/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
FFAR1 O14842 1/20 0.44
NR4A2 P43354 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.42
MAOB P27338 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
DPYD Q12882 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41

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
SCHEMBL6585986 0.88 LTA4H (0.59) CYP4F2CYP4A11CYSLTR2CYSLTR1MGLL
SCHEMBL6585897 0.86 CYP4F2 (0.48) CYP4F2CYP4A11CYSLTR2CYSLTR1MGLL
SCHEMBL3165628 0.77 CYP4F2 (0.81) CYP4F2CYP4A11MGLLBCHELTA4H
SCHEMBL3179250 0.77 CYP4F2 (1.00) CYP4F2CYP4A11MGLLBCHELTA4H
SCHEMBL5760533 0.76 CYP4F2 (0.79) CYP4F2CYP4A11MGLLBCHELTA4H
Hydrochloric Acid SCHEMBL11012160 0.76 CYP4F2 (0.97) CYP4F2CYP4A11MGLLBCHELTA4H
SCHEMBL7615767 0.72 CYP4F2 (0.88) CYP4F2CYP4A11MGLLBCHELTA4H
SCHEMBL5763262 0.71 FFAR1 (0.70) CYP4F2CYP4A11CYSLTR2CYSLTR1MGLL
SCHEMBL7619322 0.71 CYP4F2 (0.85) CYP4F2CYP4A11MGLLBCHELTA4H
SCHEMBL10554538 0.70 PRMT5 (0.50) CYP4F2CYP4A11LTA4HEPHX2FFAR1

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-1268473-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001077107-A1 OXAZOLE DERIVATIVES AND THEIR USES AS TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-18 WO disclosed