SCHEMBL4607065

SCHEMBL4607065

C(c1ccccc1)=[Ru](=C1N(C2CCCCC2)CCN1C1CCCCC1)=C1N(C2CCCCC2)CCN1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
SLC18A3 Q16572 1/20 0.39
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSP90AA1 P07900 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33

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
Hydrochloric Acid SCHEMBL852064 0.98 HSD11B1 (0.38) HSD11B1SLC18A3ALDH1A1KDM4EGAA
SCHEMBL4607064 0.74 SLC18A3 (0.36) SLC18A3ALDH1A1KDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL1008609 0.73 SLC18A3 (0.35) SLC18A3ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL28898023 0.73 HSD11B1 (0.34) HSD11B1SLC18A3ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL1006742 0.71 HSD11B1 (0.39) HSD11B1SLC18A3ALDH1A1KDM4EGAA
SCHEMBL819176 0.69 HSD11B1 (0.38) HSD11B1SLC18A3ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL1007232 0.65 HSD11B1 (0.35) HSD11B1SLC18A3ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL6879846 0.63 CYP2D6 (0.32) ALDH1A1HPGD
SCHEMBL20787645 0.63 POLB (0.35) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL539282 0.63 POLB (0.35) ALDH1A1KDM4EGAAHPGDSMN1; SMN2

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-1408064-B1 OPEN-RING COPOLYMER, HYDROGENATED OPEN-RING COPOLYMER, PROCESSES FOR PRODUCTION OF BOTH, AND COMPOSITIONS ZEON CORP (JP) 2008-07-30 EP disclosed
EP-1803761-A1 Ring-opened copolymer, hydrogenated ring-opened copolymer, process for producing thereof, and compositions ZEON CORPORATION (JP) 2007-07-04 EP disclosed