SCHEMBL6557797

SCHEMBL6557797

C=[Zr](C1=CC=CC1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PGR P06401 1/20 0.34
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MAP3K9 P80192 1/20 0.30
MAP3K11 Q16584 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
Methane SCHEMBL5838735 0.99 PNMT (0.38) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL6559527 0.99 PNMT (0.38) PNMTNPC1RAB9APGRHTR7
Biphenyl SCHEMBL10320629 0.94 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
SCHEMBL8413656 0.82 PNMT (0.38) PNMTNPC1RAB9APGRHTR7
Methane SCHEMBL5838494 0.81 PNMT (0.37) PNMTNPC1RAB9APGRHTR7
SCHEMBL4469957 0.81 NPC1 (0.45) PNMTNPC1RAB9APGRHTR7
SCHEMBL9943632 0.80 PNMT (0.38) PNMTNPC1RAB9ADRD2DRD4
Hydrochloric Acid SCHEMBL6302943 0.80 NPC1 (0.44) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL7634665 0.80 NPC1 (0.44) PNMTNPC1RAB9AHTR7HTR2B
Biphenyl SCHEMBL4976434 0.79 PNMT (0.35) PNMTNPC1RAB9AHTR7HTR2B

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
EP-0705851-B9 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-08-11 EP claimed
EP-0705851-B1 Catalyst systems and process for producing broad molecular weight distribution polyolefin CONOCOPHILLIPS CO (US) 2004-01-21 EP claimed
US-5599761-A Ionic metallocene catalyst compositions EXXON CHEMICAL PATENTS, INC. (US) 1997-02-04 US disclosed