SCHEMBL7712285

SCHEMBL7712285

CC(C)=[Zr](Cl)(Cl)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL6064691 0.86 HTR6 (0.33) HTR6HTR2ASIGMAR1MEN1USP2
SCHEMBL8409887 0.79 RET (0.36) HTR6HTR2ASIGMAR1MEN1KMT2A
SCHEMBL4445268 0.79 HTR2A (0.35) HTR6HTR2ASIGMAR1MEN1KMT2A
SCHEMBL137961 0.79 HTR2A (0.38) HTR6HTR2ASIGMAR1MEN1KMT2A
SCHEMBL550007 0.79 HTR2A (0.38) HTR6HTR2ASIGMAR1MEN1KMT2A
SCHEMBL797213 0.79 HTR2A (0.36) HTR6HTR2ASIGMAR1MEN1KMT2A
SCHEMBL7941885 0.77 HTR2A (0.36) HTR6HTR2ASIGMAR1BRD4CCL2
Propane SCHEMBL22261431 0.76 HTR2A (0.37) HTR6HTR2ASIGMAR1MEN1KMT2A
SCHEMBL4453772 0.76 HTR2A (0.33) HTR6HTR2ASIGMAR1MEN1KMT2A
Ethylene SCHEMBL2231954 0.76 HTR2A (0.35) HTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368995-B1 REQUIRES NO DEASHING, EFFICIENTLY PRODUCES POLYMERS HAVING EXCELLENT POWDER PROPERTIES; HYDROPOLYSILOXANE COMPOUND, A SILANE COMPOUND, CONDENSATES OF THE SILANE, WITH AN ORGANOMAGNESIUM COMPOUND, AN ALCOHOL, AN ORGANOALUMINUM OXY MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-04-09 US disclosed
EP-1035138-A1 SOLID CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS THEREWITH MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed