SCHEMBL27670367

SCHEMBL27670367

CC(C)C1=Cc2c(cccc2-c2ccc(C(F)(F)F)cc2)[CH]1.Cl[Zr]Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.33
ENPP1 P22413 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
CASR P41180 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 2/20 0.31
MAOB P27338 1/20 0.31
KLRK1 P26718 1/20 0.31
MICA Q29983 1/20 0.31
RAET1L Q5VY80 1/20 0.31
DRD2 P14416 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
SCHEMBL28769778 0.93 KIF11 (0.36) KIF11ENPP1AKR1C3AKR1C2CASR
SCHEMBL27512767 0.90 PTAFR (0.33) KIF11
SCHEMBL27670349 0.86 ADORA3 (0.32) ENPP1
SCHEMBL27495777 0.85 CDC25A (0.32)
SCHEMBL15163648 0.84
SCHEMBL27689384 0.84 KIF11 (0.35) KIF11ENPP1KDM4EALDH1A1CYP1A2
SCHEMBL673246 0.83 PTAFR (0.35) KIF11AKR1C3AKR1C2ALDH1A1TP53
SCHEMBL27613148 0.82 PTAFR (0.34) KIF11AKR1C3AKR1C2ALDH1A1TP53
SCHEMBL27689397 0.82 PTAFR (0.33)
SCHEMBL28210709 0.82 PTAFR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1946748-B Metallocene ligands, metallocene compounds and metallocene catalysts, their synthesis and their use for the polymerization of olefins NOVOLEN TECH HOLDINGS CV 2011-04-06 CN claimed
CN-1946748-A Metallocene ligands, metallocene compounds and metallocene catalysts, their synthesis and their use for the polymerization of olefins NOVOLEN TECH HOLDINGS CV (NL) 2007-04-11 CN claimed
CN-101384624-B Catalyst composition for olefin polymerization NOVOLEN TECH HOLDINGS CV 2012-07-04 CN disclosed
CN-1946748-B Metallocene ligands, metallocene compounds and metallocene catalysts, their synthesis and their use for the polymerization of olefins NOVOLEN TECH HOLDINGS CV 2011-04-06 CN disclosed
CN-101384624-A Catalyst composition for olefin polymerization NOVOLEN TECH HOLDINGS CV (NL) 2009-03-11 CN disclosed
CN-1946748-A Metallocene ligands, metallocene compounds and metallocene catalysts, their synthesis and their use for the polymerization of olefins NOVOLEN TECH HOLDINGS CV (NL) 2007-04-11 CN disclosed