SCHEMBL28220071

SCHEMBL28220071

C1=CCC(c2cccc3c2Cc2ccccc2-3)=C1.[Zr]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PGR P06401 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOA P21397 1/20 0.33
SRD5A2 P31213 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27348144 0.98 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28286932 0.97 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL27425148 0.95 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6437444 0.83 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7625230 0.83 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL9659755 0.83 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28762096 0.83 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6910606 0.82 PNMT (0.38) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL7913242 0.81 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL7913247 0.81 PNMT (0.36) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744522-B A kind of benzhydryl bridging cyclopentadienyl-fluorene zirconium compound and its preparation method and application 上海纳克润滑技术有限公司 2018-07-31 CN claimed
CN-105367611-B A kind of olefin high-temperature polymerization metallocene catalyst and preparation method thereof and application in olefin polymerization 华东理工大学 2019-04-05 CN disclosed
CN-104744522-B A kind of benzhydryl bridging cyclopentadienyl-fluorene zirconium compound and its preparation method and application 上海纳克润滑技术有限公司 2018-07-31 CN disclosed
CN-104744522-B A kind of benzhydryl bridging cyclopentadienyl-fluorene zirconium compound and its preparation method and application 上海纳克润滑技术有限公司 2018-07-31 CN disclosed
CN-104744522-B A kind of benzhydryl bridging cyclopentadienyl-fluorene zirconium compound and its preparation method and application 上海纳克润滑技术有限公司 2018-07-31 CN disclosed
CN-104672264-B Double indenes zirconium compounds of a kind of ethidene bridged linkage and its preparation method and application 上海纳克润滑技术有限公司 2018-07-31 CN disclosed
CN-108126753-A Application of a kind of metallocene compound in Allyl end groups oligomerization of propene object is prepared 华东理工大学 2018-06-08 CN disclosed