SCHEMBL4094394

SCHEMBL4094394

CC1=Cc2cc(-c3ccccc3)ccc2C1[Zr](Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.33
ESR2 Q92731 1/20 0.32
MAOA P21397 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
PGR P06401 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31
NPC1 O15118 2/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 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
SCHEMBL2320957 0.82 GAA (0.32) MGLLMAOAKDM1AKDM1BPGR
SCHEMBL29085643 0.78 CYP19A1 (0.31)
SCHEMBL29049893 0.77 MAOA (0.35) MGLLMAOAKDM1AKDM1BALOX5
SCHEMBL6910741 0.76 ESR2 (0.30) ESR2MAOAKDM1AKDM1BPGR
SCHEMBL27479178 0.76 MAOA (0.34) MAOAKDM1AKDM1BALOX5CYP1A2
SCHEMBL4092757 0.75 KDM1A (0.34) ESR2MAOAKDM1AKDM1BALOX5
SCHEMBL4059549 0.75 ESR2 (0.32) ESR2MAOAKDM1AKDM1BALOX5
Hydrochloric Acid SCHEMBL4094393 0.74 MAOA (0.33) MGLLMAOAKDM1AKDM1BALOX5
Hydrochloric Acid SCHEMBL4092756 0.74 MAOA (0.33) MGLLMAOAKDM1AKDM1BALOX5
SCHEMBL18114327 0.74 MAOA (0.33) MGLLMAOAKDM1AKDM1BALOX5

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
WO-2009104782-A1 ETHYLENE HOMOPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2009104783-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed