SCHEMBL2585602

SCHEMBL2585602

NS(=O)(=O)OC1CCCc2ccccc21.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GPR84 Q9NQS5 1/20 0.42
PTPN7 P35236 1/20 0.41
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5474066 0.83 IDO1 (0.58) IDO1CA1CA2GPR84SLC6A4
SCHEMBL2991124 0.80 IDO1 (0.55) IDO1CA1CA2GPR84HTT
SCHEMBL2996997 0.79 IDO1 (0.54) IDO1CA1CA2GPR84HTT
SCHEMBL10445642 0.79 IDO1 (0.54) IDO1CA1CA2GPR84SLC6A4
SCHEMBL29617530 0.77 IDO1 (0.50) IDO1CA1CA2PTPN7HTR6
SCHEMBL1878272 0.77 IDO1 (0.50) IDO1CA1CA2PTPN7HTR6
SCHEMBL2992195 0.77 IDO1 (0.51) IDO1GPR84HTTALDH1A1FFAR1
SCHEMBL20874509 0.77 HTR6 (0.48) CA1CA2HTR6
SCHEMBL1520601 0.76 IDO1 (1.00) IDO1GPR84SLC6A4
SCHEMBL15330041 0.76 IDO1 (0.72) IDO1GPR84SLC6A4HTT

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
US-20130123135-A1 Methods To Identify Modulators of TAS2R48 Receptors GIVAUDAN SA (CH) 2013-05-16 US disclosed
US-20130115624-A1 Methods To Identify Modulators GIVAUDAN S.A. (CH) 2013-05-09 US disclosed
EP-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed