SCHEMBL7607516

SCHEMBL7607516

CCC1=C2CCC3=C(CC)C(c4ccccc43)[Hf](C)(C)C1c1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
METAP1 P53582 2/20 0.31
HRH1 P35367 2/20 0.31
ADRA2C P18825 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR3A P46098 1/20 0.31
PDE4D Q08499 1/20 0.31
CDK8 P49336 1/20 0.31
CDK5 Q00535 1/20 0.31
PRCP P42785 2/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
RET P07949 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
SCHEMBL796719 0.80 BCHE (0.36) BCHEACHESIGMAR1
SCHEMBL7607809 0.77 ADRA2C (0.33) HRH1ADRA2CPTGS2HTR3APDE4D
SCHEMBL7602945 0.73 ADRA2C (0.31) CYP19A1CYP11B1CYP11B2HRH1ADRA2C
SCHEMBL4447642 0.72 ADRA2C (0.30) HRH1ADRA2CPTGS2HTR3APDE4D
SCHEMBL7604203 0.71
SCHEMBL797922 0.68 BCHE (0.36) BCHEACHESIGMAR1
SCHEMBL796457 0.66 BCHE (0.36) BCHEACHE
SCHEMBL7602016 0.65 HTR1A (0.33) SIGMAR1
SCHEMBL7599331 0.63 HTR1A (0.34) CYP11B2ADRA2CSIGMAR1
SCHEMBL7061765 0.61 HTR2A (0.37) HTR2AHRH1ADRA2CPTGS2HTR3A

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed