SCHEMBL8411737

SCHEMBL8411737

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru]=Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HSP90AA1 P07900 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4542343 1.00 POLB (0.35) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL27934819 0.98 POLB (0.34) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Carbon Monoxide SCHEMBL8744054 0.80 HSP90AA1 (0.38) POLBHSP90AA1MAPK1SMN1; SMN2KDM4E
SCHEMBL27732427 0.77
SCHEMBL3276196 0.77 GAA (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL2868301 0.77 GAA (0.38) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL3391334 0.76 POLB (0.35) POLBGAAHSP90AA1MAPK1SMN1; SMN2
SCHEMBL539282 0.76 POLB (0.35) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3337845 0.75 GAA (0.37) POLBGAAHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL175377 0.75 POLB (0.37) POLBGAAHSP90AA1MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932664-A Process for the production of hydrogenated ring-opened metathesis polymers BAYER AG (DE) 1999-08-03 US disclosed