SCHEMBL7196669

SCHEMBL7196669

CC=[Zr](Cl)(Cl)(C1C(C)=Cc2ccccc21)C1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL6294286 0.85
SCHEMBL6433417 0.84 SLC22A2 (0.30)
SCHEMBL7199317 0.83 NPC1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6300392 0.82
SCHEMBL218729 0.82
SCHEMBL7195476 0.81 ALDH1A1 (0.31) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6435557 0.80 NPC1 (0.31) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL6434823 0.80 ALDH1A1 (0.33) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL2861547 0.79 CA12 (0.31)
SCHEMBL7196684 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583237-B1 Silyl-terminated olefin polymers; catalyst is transition metal cyclopentadiene compound, organoaluminum oxycompound, compounds that form an ion pair, organoaluminum compound, organosilicon compound, a dialkylzinc compound, and hydrogen MITSUI CHEMICALS, INC. (JP) 2003-06-24 US disclosed
US-6297333-B1 METALLOCENE TRANSITION METAL COMPOUND HAVING AN INDENYL GROUP AND A FLUORENYL GROUP AS LIGANDS, SPECIFIC SUBSTITUENT ON A SPECIFIC POSITION OF THE INDENYL GROUP GIVES HIGH MOLECULAR WEIGHT AND HIGH ACTIVITY MITSUI CHEMICALS INC (JP) 2001-10-02 US disclosed
EP-1092730-A1 PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2001-04-18 EP disclosed
US-6004897-A TRANSITION METAL INDENE-FLUORINE COMPLEX COORDINATION CATALYST WITH ORGANOALUMINUM AND ALUMOXANE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 1999-12-21 US disclosed
EP-0754698-A2 An olefin polymerization catalyst and a process for preparing olefin polymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-22 EP disclosed