SCHEMBL3201787

SCHEMBL3201787

CCCC(=O)N(Cc1ccccc1C1c2ccccc2-c2ccccc21)[Ti](Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TP53 P04637 1/20 0.38
LTB4R2 Q9NPC1 3/20 0.36
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
HTT P42858 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
SCHEMBL3193195 0.82 TP53 (0.34) SLC6A2SLC6A4SLC6A3TP53TSHR
SCHEMBL3211770 0.82 NCEH1 (0.34) LTB4R2TSHRKMT2A
SCHEMBL3200325 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3TP53LTB4R2
SCHEMBL3200320 0.79 TP53 (0.35) SLC6A2SLC6A4SLC6A3TP53KMT2A
SCHEMBL3677088 0.75 PNMT (0.41) SLC6A2SLC6A4SLC6A3TP53LTB4R2
SCHEMBL3213527 0.73 TP53 (0.33) SLC6A2SLC6A4SLC6A3TP53LTB4R2
SCHEMBL3192858 0.73 TP53 (0.33) SLC6A2SLC6A4SLC6A3TP53LTB4R2
SCHEMBL3261231 0.72 SLC22A2 (0.34)
SCHEMBL10455243 0.69 HTR2A (0.45) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL3261815 0.69 SLC22A2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed