SCHEMBL2234872

SCHEMBL2234872

Cc1ccc(C2=Cc3c(ccc(C)c3-c3cccc(Cl)c3)C2[Zr](C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2cccc(Cl)c2)=[Si](C)C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.33
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
IKBKE Q14164 1/20 0.31
SOS1 Q07889 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
ALOX12 P18054 2/20 0.30
KMT2A Q03164 2/20 0.30
MITF O75030 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
CCR6 P51684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 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
Hydrochloric Acid SCHEMBL17060123 0.89 ALDH1A1 (0.32) SLC9A1S1PR4ALDH1A1CYP1A2
SCHEMBL17096815 0.88 PTGS1 (0.36)
Hydrochloric Acid SCHEMBL17096874 0.87 PTGS1 (0.36)
SCHEMBL15810075 0.86 PTGS1 (0.35) ALDH1A1MEN1MAPTALOX12KMT2A
SCHEMBL2235679 0.86
SCHEMBL2236265 0.85 IKBKB (0.31)
SCHEMBL15810028 0.82
SCHEMBL2236952 0.81
SCHEMBL2384986 0.81 SLC9A1 (0.33) SLC9A1S1PR4ALDH1A1CYP1A2IKBKE
SCHEMBL2235102 0.80 SLC9A1 (0.32) SLC9A1ALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360163-B1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN JAPAN POLYPROPYLENE CORP (JP) 2014-06-25 EP disclosed
EP-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 EP disclosed