SCHEMBL461447

SCHEMBL461447

[C]OC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.43
TDO2 P48775 9/20 0.43
DPP4 P27487 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL11783226 0.77 IDO1 (0.48) IDO1TDO2DPP4TSHRF2
SCHEMBL127629 0.75 IDO1 (0.46) IDO1TDO2DPP4TSHRF2
Methane SCHEMBL29089947 0.73 IDO1 (0.44) IDO1TDO2DPP4TSHRF2
Water SCHEMBL11878861 0.73 IDO1 (0.44) IDO1TDO2DPP4TSHRF2
Ammonia Solution, Strong SCHEMBL7282272 0.73 IDO1 (0.44) IDO1TDO2DPP4TSHRF2
SCHEMBL11666583 0.72 TSHR (0.50) IDO1TDO2DPP4TSHRF2
SCHEMBL7402392 0.72 HCAR2 (0.47) DPP4TSHRF2LMNAADRA2A
SCHEMBL2124748 0.71 IDO1 (0.43) IDO1TDO2DPP4TSHRF2
SCHEMBL9315772 0.71 IDO1 (0.48) IDO1TDO2DPP4TSHRF2
SCHEMBL530933 0.71 IDO1 (0.43) IDO1TDO2DPP4TSHRF2

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
WO-2012033956-A1 COGNITION ENHANCING COMPOUNDS AND COMPOSITIONS, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2012-03-15 WO disclosed
WO-2011131749-A1 NEW 14 AND 15 MEMBERED MACROLIDES FOR THE TREATMENT OF NEUTROPHIL DOMINATED INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-10-27 WO disclosed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO disclosed
EP-0053538-B1 VINYL-3 CEPHALOSPORIN DERIVATIVES AND THEIR PREPARATION RHONE-POULENC SANTE (FR) 1986-03-12 EP disclosed