SCHEMBL6904043

SCHEMBL6904043

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](=C(c1ccccc1)c1ccccc1)C1c2cc(C)ccc2-c2ccc(C)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
L3MBTL1 Q9Y468 3/20 0.30
MAPK1 P28482 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 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
SCHEMBL6905175 0.91 PDCD1 (0.32)
SCHEMBL5076764 0.90 CTRC (0.33) TDP1TSHR
Hydrochloric Acid SCHEMBL17698578 0.89 PDCD1 (0.31)
SCHEMBL6904015 0.87 NPC1 (0.31) CNR2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL19056287 0.86 EDNRB (0.32) NPC1RAB9AEDNRBEDNRAL3MBTL1
SCHEMBL6903573 0.82 CNR2 (0.32) CNR2
SCHEMBL6904422 0.82 NPC1 (0.34) CNR2NPC1RAB9A
SCHEMBL6903049 0.81 SLC6A2 (0.33) TSHR
SCHEMBL6905967 0.81 NPC1 (0.34) NPC1RAB9ALMNA
SCHEMBL6903992 0.80 NPC1 (0.34) NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed