SCHEMBL5708170

SCHEMBL5708170

CCCc1cccc(OCc2ccccc2)c1.Cl[Cu]

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.64
CYP4A11 Q02928 1/20 0.64
MAOB P27338 5/20 0.58
BCHE P06276 9/20 0.58
MGLL Q99685 1/20 0.51
FFAR1 O14842 1/20 0.50
MAOA P21397 1/20 0.50
ABCB1 P08183 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL327570 0.95 CYP4F2 (0.70) CYP4F2CYP4A11MAOBBCHEMGLL
SCHEMBL4568936 0.85 CYP4F2 (0.66) CYP4F2CYP4A11MAOBBCHEMGLL
SCHEMBL3918100 0.85 CYP4F2 (0.56) CYP4F2CYP4A11MAOBBCHEFFAR1
SCHEMBL27674326 0.83 PPARA (0.68) CYP4F2CYP4A11MAOBBCHEMGLL
Hydrochloric Acid SCHEMBL5708167 0.82 CYP4F2 (0.53) CYP4F2CYP4A11MAOBBCHEFFAR1
SCHEMBL3968426 0.81 CYP4F2 (0.53) CYP4F2CYP4A11MAOBBCHEABCB1
SCHEMBL91188 0.81 MAOB (0.68) CYP4F2CYP4A11MAOBBCHEMAOA
SCHEMBL29925214 0.81 MAOB (0.68) CYP4F2CYP4A11MAOBBCHEMAOA
SCHEMBL3968967 0.80 CYP4F2 (0.51) CYP4F2CYP4A11MAOBBCHE
SCHEMBL13596190 0.80 LTA4H (0.53) CYP4F2CYP4A11BCHEDRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed