SCHEMBL28034367

SCHEMBL28034367

CCCCCCC1=Cc2c(-c3ccccc3)cccc2C1[Zr](Cl)Cl.[Zr]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.34
PTPN1 P18031 2/20 0.34
SOAT1 P35610 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL27613040 0.99 CNR1 (0.35) CNR1PTPN1SOAT1CYSLTR2CYSLTR1
SCHEMBL27509855 0.97 PTPN1 (0.33) CNR1PTPN1SOAT1CYSLTR2CYSLTR1
SCHEMBL27524734 0.94 BCHE (0.33) PTPN1SOAT1
SCHEMBL28035004 0.90 ADRB2 (0.31)
SCHEMBL27537527 0.89 HSD11B1 (0.38) TP53MAPTSMN1; SMN2
SCHEMBL27524740 0.89 ADRB2 (0.32)
SCHEMBL27513836 0.88 TLR8 (0.33)
SCHEMBL27514505 0.87 TLR8 (0.41) MAPTSMN1; SMN2
SCHEMBL27513133 0.86 KCNH2 (0.31)
SCHEMBL28034432 0.86 BRD4 (0.31)

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
CN-103012623-B Metalloscene catalyst, its synthesis and purposes in olefin polymerization NOVOLEN TECH HOLDINGS CV (DE) 2015-09-16 CN disclosed