SCHEMBL6908201

SCHEMBL6908201

CC1Cc2cc3c(cc2C1=O)C(C)(C)CCC3(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.53
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
RXRA P19793 4/20 0.33
RXRG P48443 3/20 0.33
RARA P10276 2/20 0.33
RXRB P28702 2/20 0.33
RARB P10826 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
SCHEMBL2354847 0.90 ACHE (0.53) ACHE
SCHEMBL18009557 0.74 ACHE (0.53) ACHE
SCHEMBL8309629 0.72 RARA (0.36) ACHERXRARXRGRARARXRB
SCHEMBL14156890 0.72 ACHE (0.53) ACHE
SCHEMBL8091521 0.72 ACHE (0.69) ACHE
SCHEMBL3658017 0.72 ACHE (0.61) ACHE
SCHEMBL20692255 0.72 ACHE (0.59) ACHE
SCHEMBL8099829 0.72 ACHE (0.69) ACHE
SCHEMBL5009416 0.71 RXRA (0.41) RXRARXRGRARARXRBRARB
SCHEMBL6935877 0.71 ACHE (0.62) ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923589-B1 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-15 EP disclosed
EP-0946575-B1 FUSED RING SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS DOW CHEMICAL CO (US) 2001-10-10 EP disclosed
US-6268444-B1 TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION DOW CHEMICAL COMPANY 2001-07-31 US disclosed
US-6034022-A COORDINATION POLYMERIZATION CATALYST THE DOW CHEMICAL COMPANY (US) 2000-03-07 US disclosed
US-5965756-A COORDINATION CATALYSTS AS ADDITION POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1999-10-12 US disclosed
EP-0946575-A1 FUSED RING SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-10-06 EP disclosed
WO-1998027103-A1 FUSED RING SUBSTITUTED INDENYL METAL COMPLEXES AND POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1998-06-25 WO disclosed