SCHEMBL7751696

SCHEMBL7751696

CC(=O)c1cccc(C(C)=O)n1.CC(C)(C)C1=CC=CCC1=N.CC(C)(C)C1=CC=CCC1=N.[Co]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8468717 0.97 ALDH1A1 (0.32) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL7719477 0.96 ALDH1A1 (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL7723830 0.96 ALDH1A1 (0.34) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL7748182 0.75 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL4084545 0.74 ALDH1A1 (0.33) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL455687 0.70 KDM4E (0.59) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL6151674 0.69 ALDH1A1 (0.39) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL27613793 0.68 KDM4E (0.56) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL6641842 0.68 KDM4E (0.56) ALDH1A1KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL28930333 0.66 ALDH1A1 (0.58) ALDH1A1KDM4EALOX15TSHRACMSD

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-1066229-A1 OLIGOMERIZATION OF PROPYLENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-01-10 EP disclosed
WO-1999051550-A1 OLIGOMERIZATION OF PROPYLENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-14 WO disclosed
US-5955555-A CATALYTIC POLYMERIZATION OF ETHYLENE IN PRESENCE OF AN IRON OR COBALT COMPLEXES OF SELECTED 2,6-PYRIDINECARBOXALDEHYDEBIS(IMINES) AND 2,6-DIACYLPYRIDINEBIS(IMINES); USE AS MOLDING MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-21 US disclosed