SCHEMBL6910000

SCHEMBL6910000

CC1=CC([Ti](Cl)(Cl)(=C(c2ccccc2)c2ccccc2)C2C=C(C)c3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 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
SCHEMBL6905733 0.86 PDCD1 (0.33) PDCD1CD274EDNRBEDNRA
SCHEMBL6911175 0.81 PDCD1 (0.32) PDCD1CD274EDNRBEDNRA
SCHEMBL6909398 0.79 PGR (0.35) EDNRBEDNRA
SCHEMBL6909573 0.71 PDCD1 (0.32) PDCD1CD274
Hydrochloric Acid SCHEMBL27516469 0.68 PDCD1 (0.35) PDCD1CD274EDNRBEDNRALMNA
SCHEMBL6908254 0.68 HTR6 (0.35)
SCHEMBL6905730 0.67
Hydrochloric Acid SCHEMBL29216496 0.67 PDCD1 (0.34) PDCD1CD274EDNRBEDNRALMNA
Hydrochloric Acid SCHEMBL27499114 0.67 PDCD1 (0.34) PDCD1CD274EDNRBEDNRALMNA
SCHEMBL6905916 0.67 MAPT (0.34) EDNRBEDNRALMNATDP1L3MBTL1

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