SCHEMBL6905733

SCHEMBL6905733

CC1=CC([Ti](Cl)(Cl)(=C(C)C)C2C=C(C)c3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2B P41595 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HNF4A P41235 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
SCHEMBL6910000 0.86 PDCD1 (0.32) PDCD1CD274EDNRBEDNRA
SCHEMBL6911175 0.83 PDCD1 (0.32) PDCD1CD274EDNRBEDNRAHTR2B
SCHEMBL6905730 0.81
SCHEMBL6907107 0.81 POLB (0.33)
SCHEMBL6908524 0.78 PGR (0.37) EDNRBEDNRA
Hydrochloric Acid SCHEMBL6905728 0.70 PDCD1 (0.34) PDCD1CD274EDNRBEDNRAHTR2B
Hydrochloric Acid SCHEMBL27516469 0.70 PDCD1 (0.35) PDCD1CD274EDNRBEDNRAHTR1A
SCHEMBL820472 0.69 PDCD1 (0.33) PDCD1CD274HTR2BTMEM97HTR1A
Hydrochloric Acid SCHEMBL29216496 0.69 PDCD1 (0.34) PDCD1CD274EDNRBEDNRAHTR1A
Hydrochloric Acid SCHEMBL27499114 0.69 PDCD1 (0.34) PDCD1CD274EDNRBEDNRAHTR1A

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
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed