SCHEMBL6568409

SCHEMBL6568409

C1CCC(P(C2CCCC2)C2CCCC2)C1.C1CCC(P(C2CCCC2)C2CCCC2)C1.[Ru]=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
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
IDO1 P14902 1/20 0.31

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
SCHEMBL2868301 0.98 GAA (0.38) GAAPOLBALDH1A1TSHRMAPT
SCHEMBL3276196 0.98 GAA (0.38) GAAPOLBALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL4542347 0.96 GAA (0.37) GAAPOLBALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL3337845 0.96 GAA (0.37) GAAPOLBALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL4119676 0.78 POLB (0.38) GAAPOLBALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL4248410 0.78 HSP90AA1 (0.40) GAAPOLBTRPM8HSP90AA1MAPK1
Hydrochloric Acid SCHEMBL175377 0.77 POLB (0.37) GAAPOLBALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL4542337 0.77 POLB (0.37) GAAPOLBALDH1A1TSHRMAPT
Iodide SCHEMBL2464728 0.77 POLB (0.37) GAAPOLBALDH1A1TSHRMAPT
Bromide SCHEMBL2467102 0.77 POLB (0.37) GAAPOLBALDH1A1TSHRMAPT

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-1432694-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES Wyeth (US) 2004-06-30 EP disclosed
US-6716998-B2 SUCH AS (2R)-3,4-DIHYDRO-2H-CHROMEN-2-YL-METHYL-4-METHYL-BENZENESULFONATE; METATHESIS RING CLOSING POLYMERIZATION WYETH 2004-04-06 US disclosed
WO-2003031428-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES WYETH (US) 2003-04-17 WO disclosed