SCHEMBL3698490

SCHEMBL3698490

CCOc1ccccc1C=[Ru](Cl)(Cl)=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
BACE1 P56817 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 2/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CCR3 P51677 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL3682972 0.90 CDK4 (0.30)
SCHEMBL3680439 0.89 TDP1 (0.32) MAPTHPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL3680438 0.88
SCHEMBL16390545 0.86 NPC1 (0.37) ALDH1A1MAPTL3MBTL1RAB9ALMNA
SCHEMBL29365624 0.84 MAPT (0.32) MAPT
SCHEMBL3682970 0.84
SCHEMBL135939 0.84 MAPT (0.32) MAPT
Methane SCHEMBL23781973 0.81 HTT (0.33) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL3691639 0.80 NPSR1 (0.30)
SCHEMBL19347265 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070964-B9 PROCESS FOR PRODUCTION OF HYDROGENATED POLYMERS AND HYDROGENATED POLYMERS KURARAY CO (JP) 2012-10-31 EP disclosed
EP-2070964-B1 PROCESS FOR PRODUCTION OF HYDROGENATED POLYMERS AND HYDROGENATED POLYMERS KURARAY CO (JP) 2012-05-16 EP disclosed
EP-2070964-A1 PROCESS FOR PRODUCTION OF HYDROGENATED POLYMERS AND HYDROGENATED POLYMERS Kuraray Co., Ltd. (JP) 2009-06-17 EP disclosed