SCHEMBL8464983

SCHEMBL8464983

C1=CC(CC2CCCO2)=C([Zr]C2=C(CC3CCCO3)C=CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDE9A O76083 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL8678975 0.98 ALDH1A1 (0.33) ALDH1A1TSHRHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL27537765 0.77 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL27537763 0.77 ALDH1A1 (0.34) ALDH1A1TSHRHPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL8678970 0.76 ALDH1A1 (0.33) ALDH1A1TSHRHPGDKMT2AMEN1
Fluoride SCHEMBL1130305 0.75 HTR3A (0.32)
Hydrochloric Acid SCHEMBL3677809 0.72
SCHEMBL3842752 0.71 HTR3A (0.32)
Hydrochloric Acid SCHEMBL3680482 0.71 HTR3A (0.32)
Fluoride SCHEMBL1130418 0.65
Fluoride SCHEMBL1131381 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608054-B1 Catalyst compositions and process for preparing polyolefins BP CHEM INT LTD (GB) 1999-07-07 EP disclosed
US-5814574-A ZIRCONIUM METALLOCENE POLYMERIZATION CATALYSTS; NARROW MOLECULAR WEIGHT DISTRIBUTION BP CHEMICALS LIMITED (GB) 1998-09-29 US disclosed
US-5767209-A A METALLOCENE COMPLEX OF A GROUP 4 METAL AND A CYCLOPENTADIENYL NUCLEUS ON AN INORGANIC SUPPORT WITHOUT USING COCATALYSTS, E.G. ALUMOXANES, AS THE MEANS OF SUPPORT BP CHEMICALS LIMITED (GB) 1998-06-16 US disclosed
EP-0608054-A2 Catalyst compositions and process for preparing polyolefins BP Chemicals Limited (GB) 1994-07-27 EP disclosed