SCHEMBL4453778

SCHEMBL4453778

CC1=C2c3ccccc3C1[Zr](Cl)(Cl)C1C(C)=C(c3ccccc31)[Si]2(C1CCCCC1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SPHK1 Q9NYA1 2/20 0.30
KDM4E B2RXH2 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
TDP2 O95551 1/20 0.30
S1PR4 O95977 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
XBP1 P17861 1/20 0.30
S1PR1 P21453 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
PAX8 Q06710 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
SCHEMBL797367 0.77 PBRM1 (0.32)
SCHEMBL4444119 0.69 ADRA2C (0.32) PTGS2
SCHEMBL4445837 0.69
SCHEMBL5347817 0.63 PBRM1 (0.33)
SCHEMBL796322 0.62
SCHEMBL7600798 0.60
SCHEMBL5353131 0.59
SCHEMBL7711841 0.58 GPR3 (0.31)
SCHEMBL4447642 0.57 ADRA2C (0.30) PTGS2
SCHEMBL6895735 0.57 ADRA2C (0.32) PTGS2L3MBTL1

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
US-7531605-B2 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU KOSAN CO., LTD. (JP) 2009-05-12 US disclosed
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed
US-20040106738-A1 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1375538-A1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-02 EP disclosed