SCHEMBL144096

SCHEMBL144096

CCC1=Cc2c(-c3ccccc3)cccc2C1[Zr](Cl)(Cl)(=C(C)C)C1C(CC)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP2A6 P11509 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL139930 0.90 SMN1; SMN2 (0.32) PDCD1CD274SMN1; SMN2
SCHEMBL140970 0.87 PDCD1 (0.31) PDCD1CD274
SCHEMBL6465005 0.87 NR1H4 (0.30)
SCHEMBL5953141 0.86 PDCD1 (0.30) PDCD1CD274
SCHEMBL142772 0.85 MAPT (0.32)
SCHEMBL141919 0.84 PDCD1 (0.30) PDCD1CD274
SCHEMBL141649 0.84 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL3891684 0.84 PDCD1 (0.30) PDCD1CD274
SCHEMBL137810 0.83 LMNA (0.37) PDCD1CD274SMN1; SMN2
SCHEMBL143517 0.82 LMNA (0.36) PDCD1CD274SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356100-B Copolymer of olefin and conjugated diene and preparation method thereof MITSU CHEMICALS INC 2014-01-08 CN disclosed
US-8513368-B2 Copolymer of olefin and conjugated diene, and process for producing the same MITSUI CHEMICALS, INC. (JP) 2013-08-20 US disclosed
US-20120059135-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-03-08 US disclosed