SCHEMBL27706992

SCHEMBL27706992

CC1=Cc2c(cccc2-c2ccc(C)cc2)[CH]1.[Zr]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
PTAFR P25105 1/20 0.32
ENPP1 P22413 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
SYK P43405 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAOB P27338 1/20 0.30
KIT P10721 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
CRHR1 P34998 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
SCHEMBL7624416 0.98 ADORA3 (0.38) ADORA3PTAFRENPP1PTGS2MEN1
SCHEMBL27772681 0.91 ADORA3 (0.35) ADORA3PTAFRENPP1
SCHEMBL27415145 0.91 ADORA3 (0.35) ADORA3PTAFRENPP1
SCHEMBL27441135 0.89 PDCD1 (0.38) ADORA3PTGS2
SCHEMBL60836 0.87 PDCD1 (0.39) ADORA3PTGS2
SCHEMBL27392580 0.86 PTGS2 (0.38) PTAFRPTGS2MEN1KMT2ANPC1
SCHEMBL20548534 0.85 PDCD1 (0.38) ADORA3PTGS2
SCHEMBL27509388 0.85 PDCD1 (0.38) ADORA3PTGS2
SCHEMBL27478124 0.85 PDCD1 (0.38) ADORA3PTGS2
SCHEMBL27687606 0.85 PTAFR (0.36) PTAFRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101124252-B Metallocene catalysts, their synthesis and use in olefin polymerization NOVOLEN TECH HOLDINGS CV 2011-10-05 CN claimed
CN-101124252-A Metallocene catalysts, their synthesis and use in olefin polymerization NOVOLEN TECH HOLDINGS CV (NL) 2008-02-13 CN claimed
CN-103012623-A Metallocene catalysts, their synthesis and their use for the polymerization of olefins NOVOLEN TECH HOLDINGS CV 2013-04-03 CN disclosed
CN-101124252-B Metallocene catalysts, their synthesis and use in olefin polymerization NOVOLEN TECH HOLDINGS CV 2011-10-05 CN disclosed
CN-101124252-A Metallocene catalysts, their synthesis and use in olefin polymerization NOVOLEN TECH HOLDINGS CV (NL) 2008-02-13 CN disclosed