SCHEMBL6557930

SCHEMBL6557930

CC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.[Zr]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
EGFR P00533 1/20 0.38
PGR P06401 1/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
Hydrochloric Acid SCHEMBL6558708 0.98 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6675580 0.98 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL6558717 0.95 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6672847 0.87 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29617348 0.87 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL19682347 0.84 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2231457 0.84 NPC1 (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7166662 0.84 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1609628 0.84 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1567173 0.84 NPC1 (0.47) 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
EP-0726271-B1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM CO (US) 2000-05-24 EP claimed