SCHEMBL27437867

SCHEMBL27437867

C1=CCC([Zr]CCc2ccccc2)=C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
ATM Q13315 1/20 0.34
AOC3 Q16853 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL9077798 0.81 TP53 (0.33) ALDH1A1
SCHEMBL61673 0.81 MAOA (0.38) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrochloric Acid SCHEMBL6900962 0.80 KDM4E (0.36)
Hydrochloric Acid SCHEMBL27500843 0.80 KDM4E (0.36)
SCHEMBL27259652 0.80 KDM4E (0.32) TAAR1SIGMAR1CYP2A6
SCHEMBL2485880 0.72
(Chloromethyl)Benzene SCHEMBL28482875 0.71 KDM4E (0.31) SIGMAR1
Hydrochloric Acid SCHEMBL22616466 0.71
SCHEMBL27278711 0.71
Hydrochloric Acid SCHEMBL7171819 0.71

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
CN-1128168-C Process for preparing polyolefin compositions MITSUI CHEMICALS INC (JP) 2003-11-19 CN disclosed
CN-1404491-A Process for producing polyolefin composition MITSUI CHEMICALS INC (JP) 2003-03-19 CN disclosed