SCHEMBL7595606

SCHEMBL7595606

c1ccc(CO[Zr](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.44
ALDH1A1 P00352 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA7 P43166 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL8407902 0.85 ALOX15 (0.41) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7596909 0.81 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7592115 0.81 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6910688 0.79 TP53 (0.44) TSHRIDO1ALDH1A1TDP1MAPT
SCHEMBL1361708 0.77 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6911669 0.76 TP53 (0.41) TSHRALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL7596681 0.74 ALOX15 (0.38) TSHRALDH1A1CA1CA9CA12
SCHEMBL6909921 0.73 TP53 (0.42) TSHRIDO1AGXTALDH1A1TDP1
SCHEMBL7597762 0.73 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7596680 0.73 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1

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 10 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-6111040-A Process for the production of olefinic polymers NIPPON MITSUBISHI OIL CORPORATION (JP) 2000-08-29 US disclosed
US-6077804-A Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 2000-06-20 US disclosed
EP-0745616-B1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO LTD (JP) 1999-04-07 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-5750454-A Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO., LTD. (JP) 1998-05-12 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0748823-A1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO. LTD. (JP) 1996-12-18 EP disclosed
EP-0745616-A1 Catalyst composition and process for the production of olefinic polymers NIPPON OIL CO. LTD. (JP) 1996-12-04 EP disclosed
EP-0694563-A1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 1996-01-31 EP disclosed