SCHEMBL7586879

SCHEMBL7586879

COC(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
TDO2 P48775 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.37
ADRA2A P08913 2/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM1 P11229 2/20 0.37
SLC6A2 P23975 2/20 0.37
ADRA1A P35348 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
HTT P42858 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL461448 0.86 IDO1 (0.47) IDO1TDO2SMN1; SMN2NPSR1SCN1A
SCHEMBL23296602 0.84 IDO1 (0.46) IDO1TDO2SMN1; SMN2NPSR1SCN1A
SCHEMBL28008631 0.80 IDO1 (0.50) IDO1TDO2CYP2D6SLC6A2SLC6A3
SCHEMBL8300706 0.78 HTT (0.46) SMN1; SMN2SCN1ASCN2ASCN3ALMNA
SCHEMBL13697238 0.76 MLKL (0.51) IDO1TDO2SMN1; SMN2NPSR1LMNA
SCHEMBL6751142 0.76 IDO1 (0.41) IDO1TDO2SMN1; SMN2NPSR1SCN1A
SCHEMBL9097250 0.76 SMN1; SMN2 (0.50) IDO1TDO2SMN1; SMN2NPSR1CYP2D6
SCHEMBL2468067 0.75 TYR (0.39) LMNAADRA2ACYP2D6TSHRKMT2A
SCHEMBL8939714 0.75 TYR (0.39) LMNAADRA2ACYP2D6TSHRKMT2A
SCHEMBL8939782 0.75 TYR (0.39) LMNAADRA2ACYP2D6TSHRKMT2A

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-1244548-A2 HEAT-SENSITIVE IMAGING ELEMENT FOR PROVIDING LITHOGRAPHIC PRINTING PLATES Kodak Polychrome Graphics Company Ltd. (US) 2002-10-02 EP disclosed
WO-2001039985-A2 HEAT-SENSITIVE IMAGING ELEMENT FOR PROVIDING LITHOGRAPHIC PRINTING PLATES KODAK POLYCHROME GRAPHICS CO. LTD. (US) 2001-06-07 WO disclosed