SCHEMBL7047586

SCHEMBL7047586

C=CCN(CC=CO)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.37
CHKA P35790 1/20 0.36
C5AR1 P21730 1/20 0.36
PTPN1 P18031 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
TGM2 P21980 1/20 0.33
CRHR1 P34998 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL175063 0.91 ALDH1A1 (0.44) CNR1CNR2ALDH1A1TSHRCYP2C19
SCHEMBL544100 0.87 ALDH1A1 (0.48) CNR1CNR2ALDH1A1TSHRCYP2C19
SCHEMBL9403801 0.83 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19CHKAPTPN1
SCHEMBL11396360 0.82 CYP1A2 (0.41) ALDH1A1TSHRCHKASMN1; SMN2GAA
SCHEMBL9640200 0.80 HPGD (0.43) ALDH1A1TSHRCHKAPTPN1SMN1; SMN2
SCHEMBL13700755 0.78 CNR2 (0.55) CNR1CNR2ALDH1A1TSHRCYP2C19
SCHEMBL27746105 0.77 CNR1 (0.42) CNR1CNR2ALDH1A1TSHRCYP2C19
SCHEMBL851567 0.77 CHKA (0.50) CNR1CNR2ALDH1A1TSHRCHKA
SCHEMBL3948375 0.76 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRCYP2C19
SCHEMBL6462704 0.75 CNR2 (0.40) CNR1CNR2ALDH1A1TSHRCYP2C19

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
US-6822058-B1 POLYMERIZABLE RESIN, PROMOTED PEROXIDE INCLUDES TERTIARY PERESTER, TRANSITION METAL CATALYST, AND AROMATIC TERITIARY AMINE SYNERGIST; THE SHERWIN-WILLIAMS COMPANY 2004-11-23 US claimed
US-6822058-B1 POLYMERIZABLE RESIN, PROMOTED PEROXIDE INCLUDES TERTIARY PERESTER, TRANSITION METAL CATALYST, AND AROMATIC TERITIARY AMINE SYNERGIST; THE SHERWIN-WILLIAMS COMPANY 2004-11-23 US disclosed