SCHEMBL5708187

SCHEMBL5708187

Ic1cccc(COc2ccccc2)c1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.61
IDO1 P14902 2/20 0.56
F10 P00742 1/20 0.53
MAOB P27338 7/20 0.51
MAOA P21397 2/20 0.49
LCK P06239 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FFAR1 O14842 1/20 0.48
TACR1 P25103 1/20 0.48

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
SCHEMBL3916599 0.98 APP (0.63) APPIDO1F10MAOBMAOA
SCHEMBL30674750 0.98 APP (0.63) APPIDO1F10MAOBMAOA
SCHEMBL5708184 0.95 APP (0.59) APPIDO1F10MAOBMAOA
SCHEMBL314468 0.87 APP (0.63) APPMAOBMAOALCKCYP4F2
SCHEMBL1548932 0.84 F10 (0.62) APPF10MAOBMAOALCK
SCHEMBL5708191 0.84 APP (0.59) APPMAOBMAOALCKCYP4F2
SCHEMBL32665169 0.83 APP (0.59) APPF10MAOBMAOALCK
SCHEMBL9060683 0.82 APP (0.64) APPIDO1MAOBMAOA
Formaldehyde SCHEMBL27783224 0.82 NR4A2 (0.61) APPMAOBMAOALCKCYP4F2
SCHEMBL15761340 0.80 BCHE (0.70) APPF10MAOBMAOALCK

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-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed