SCHEMBL8103716

SCHEMBL8103716

c1ccc(CCc2cccc(CCc3ccccc3)c2CCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
KCNH2 Q12809 2/20 0.48
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHFR P00374 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL12506239 0.87 HTR2A (0.47) HTR1ADRD2KCNH2MAOAMAOB
SCHEMBL11203784 0.85 HTR1A (0.43) HTR1ADRD2KCNH2MAOAMAOB
SCHEMBL503086 0.85 MPO (0.49) HTR1ADRD2TDP1
SCHEMBL55137 0.84 HTR1A (0.58) HTR1ADRD2KCNH2MAOAMAOB
SCHEMBL2049765 0.82 SIGMAR1 (0.44) HTR1ADRD2KCNH2
SCHEMBL6548127 0.81 HTT (0.51) HTR1ADRD2KCNH2ALDH1A1NR1H2
SCHEMBL2730510 0.80 HTR1A (0.51) HTR1ADRD2MAOAMAOBDHFR
SCHEMBL9423904 0.78 HTR1A (0.48) HTR1ADRD2KCNH2MAOAMAOB
SCHEMBL62125 0.78 ALDH1A1 (0.69) KCNH2MAOAMAOBALDH1A1HPGD
SCHEMBL9741303 0.78 ALDH1A1 (0.69) KCNH2MAOAMAOBALDH1A1HPGD

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-6107398-A Associative polymers containing 2,4,6-triphenethyl benzyl poly(ethoxy)(meth)acrylate as a monomer and their process of preparation by inverse emulsion polymerization ELF ATOCHEM S.A. (FR) 2000-08-22 US claimed
EP-0896966-A1 Associative polymers and process for their preparation by reverse emulsion ELF ATOCHEM S.A. (FR) 1999-02-17 EP claimed
US-6107398-A Associative polymers containing 2,4,6-triphenethyl benzyl poly(ethoxy)(meth)acrylate as a monomer and their process of preparation by inverse emulsion polymerization ELF ATOCHEM S.A. (FR) 2000-08-22 US disclosed
EP-0896966-A1 Associative polymers and process for their preparation by reverse emulsion ELF ATOCHEM S.A. (FR) 1999-02-17 EP disclosed