SCHEMBL7596230

SCHEMBL7596230

CCCCCO[Zr](OCCCCC)(OCCCCC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.44
LTA4H P09960 2/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
TP53 P04637 2/20 0.39
DNM1 Q05193 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7589689 1.00 CETP (0.44) CETPLTA4HTSHRMAPK1CYP3A4
SCHEMBL3694568 0.95 TSHR (0.47) CETPLTA4HTSHRMAPK1CYP3A4
SCHEMBL3685455 0.95 TSHR (0.47) CETPLTA4HTSHRMAPK1CYP3A4
SCHEMBL3693061 0.95 TSHR (0.47) CETPLTA4HTSHRMAPK1CYP3A4
SCHEMBL3691633 0.87 TSHR (0.43) CETPTSHRMAPK1CYP3A4ALDH1A1
SCHEMBL3694499 0.87 TSHR (0.43) CETPTSHRMAPK1CYP3A4ALDH1A1
SCHEMBL3693782 0.87 TSHR (0.43) CETPTSHRMAPK1CYP3A4ALDH1A1
SCHEMBL1361708 0.80 TSHR (0.57) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3684177 0.79 TSHR (0.46) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3690537 0.79 TSHR (0.46) TSHRMAPK1ALDH1A1TDP1L3MBTL1

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
EP-0694563-B1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON MITSUBISHI OIL CORP (JP) 2002-10-30 EP disclosed
US-6077804-A Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 2000-06-20 US disclosed
EP-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
US-5780562-A GROUP 4 METAL ALKOXIDE DERIVATIVES COMPLEXED WITH GROUP 1-3 METAL ALKOXIDE DERIVATIVES, ORGANOCYCLIC COMPOUNDS HAVING CONJUGATED BONDS, ALUMOXANES, AND A SLILICA OR ALUMINA NIPPON OIL CO., LTD. (JP) 1998-07-14 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0694563-A1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 1996-01-31 EP disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed