SCHEMBL7697007

SCHEMBL7697007

CC(C)c1cc(C(C)C)n(C([Cr])(n2nc(C(C)C)cc2C(C)C)n2nc(C(C)C)cc2C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CACNA1H O95180 1/20 0.30
KCNH2 Q12809 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
SCHEMBL2765245 0.75
SCHEMBL2766315 0.75
SCHEMBL2737328 0.69 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL2456612 0.67 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL4013826 0.67 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL25978737 0.67 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL12796093 0.67 ALDH1A1 (0.42) ALDH1A1GAA
SCHEMBL17853360 0.67 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL17368839 0.67 ALDH1A1 (0.34) ALDH1A1GAA
SCHEMBL17489165 0.67 ALDH1A1 (0.34) ALDH1A1GAA

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-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 US disclosed