SCHEMBL6158964

SCHEMBL6158964

CC1=Cc2c(-c3ccccc3)cccc2C1CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 2/20 0.33
FDFT1 P37268 2/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
PRCP P42785 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
ADRB2 P07550 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
SCHEMBL5084813 0.84 PDCD1 (0.39) PDCD1CD274ALDH1A1CHRNB2CHRNA4
SCHEMBL4623138 0.84 PDCD1 (0.39) PDCD1CD274ALDH1A1CHRNB2CHRNA4
SCHEMBL6890691 0.83 PDCD1 (0.38) PDCD1CD274KDM4ECHRNB2CHRNA4
SCHEMBL3998331 0.83 PDCD1 (0.38) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7110286 0.83 PDCD1 (0.38) PDCD1CD274KDM4ECHRNB2CHRNA4
SCHEMBL8503531 0.82 PDCD1 (0.31) PDCD1CD274
SCHEMBL8679512 0.82 PDCD1 (0.37) PDCD1CD274CHRNB2CHRNA4
SCHEMBL27478943 0.82 PDCD1 (0.40) PDCD1CD274ALDH1A1KDM4ECHRNB2
SCHEMBL5836290 0.81 PDCD1 (0.31) PDCD1CD274
SCHEMBL1241178 0.81 PDCD1 (0.36) PDCD1CD274CHRNB2CHRNA4

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
EP-1501843-A1 ALKARYL-SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-02-02 EP disclosed
WO-2003091265-A1 ALKARYL-SUBSTITUTED GROUP 4 METAL COMPLEXES, CATALYSTS AND OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-11-06 WO disclosed