SCHEMBL9999067

SCHEMBL9999067

CC1=C(C)C(C)(C)C([Ti](Oc2ccccc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)Oc2ccccc2-c2ccc3c(c2)C(C)(C)c2ccccc2-3)=C1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
PTPRC P08575 1/20 0.32
PTPN1 P18031 1/20 0.32
CHEK1 O14757 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 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
SCHEMBL3803062 0.76 PDK2 (0.39) PDK2PTPRCPTPN1CHEK1
SCHEMBL20081106 0.75 PDK2 (0.63) PDK2PTPRCPTPN1CHEK1PGR
SCHEMBL627089 0.74 PDK2 (0.38) PDK2PTPRCPTPN1
SCHEMBL626368 0.74 PDK2 (0.38) PDK2PTPRCPTPN1
SCHEMBL3799195 0.74 PDK2 (0.48) PDK2PTPRCPTPN1CHEK1PGR
SCHEMBL30595509 0.72 PDK2 (0.46) PDK2
SCHEMBL2961760 0.71 PDK2 (0.45) PDK2
SCHEMBL1649136 0.71 PDK2 (0.47) PDK2
SCHEMBL10025097 0.70 PDK2 (0.54) PDK2PTPRCPTPN1CHEK1PGR
SCHEMBL2965134 0.70 PDK2 (0.44) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232359-B2 Process for preparing ethylene homopolymers or copolymers of ethylene with α-olefin by using the transition metal compound SK INNOVATION CO., LTD. (KR) 2012-07-31 US disclosed
US-20110319576-A1 PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE WITH ALPHA-OLEFIN BY USING THE TRANSITION METAL COMPOUND SK ENERGY CO., LTD. (KR) 2011-12-29 US disclosed