SCHEMBL7123836

SCHEMBL7123836

C(COCC=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
TBXAS1 P24557 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7923366 0.88 SIGMAR1 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL15571902 0.84 SIGMAR1 (0.49) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11459303 0.84 AKT1 (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL294671 0.84 MTNR1A (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL25430776 0.81 MTNR1A (0.49) MTNR1AMTNR1BCHRNB2CHRNB4CHRNA3
SCHEMBL89304 0.81 MTNR1A (0.41) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL6268910 0.79 DRD2 (0.38) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL8634598 0.79 BLM (0.39) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7492443 0.79 MTNR1A (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL9092744 0.79 SIGMAR1 (0.53) SIGMAR1MTNR1AMTNR1BCHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4725631-A Acrylic diesters of bisphenol-alkyl-ether, polymers prepared therefrom, and composites for dental use MONTEDISON S.P.A. (IT) 1988-02-16 US claimed
US-20030065089-A1 Aqueous dispersion in a formulation for floor adhesives ATOFINA (FR) 2003-04-03 US disclosed
US-4761358-A Electrostatographic encapsulated toner FUJI PHOTO FILM CO., LTD. (JP) 1988-08-02 US disclosed
US-4725631-A Acrylic diesters of bisphenol-alkyl-ether, polymers prepared therefrom, and composites for dental use MONTEDISON S.P.A. (IT) 1988-02-16 US disclosed
US-4725631-A Acrylic diesters of bisphenol-alkyl-ether, polymers prepared therefrom, and composites for dental use MONTEDISON S.P.A. (IT) 1988-02-16 US disclosed
US-4725631-A Acrylic diesters of bisphenol-alkyl-ether, polymers prepared therefrom, and composites for dental use MONTEDISON S.P.A. (IT) 1988-02-16 US disclosed
US-4191705-A Process for the preparation of carbonic acid esters of polyester-polyols BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed