SCHEMBL8419732

SCHEMBL8419732

C=CC(COCC(C=C)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TACR1 P25103 2/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
AGXT P21549 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL11447748 0.95 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL28886016 0.86 CA1 (0.38) TSHRCA1CA2CA7CA9
SCHEMBL24191831 0.83 HTR1B (0.38) TSHRCA1CA2CA7CA9
SCHEMBL10406313 0.82 TLR2 (0.40) TDP1
SCHEMBL8419725 0.81 CA1 (0.51) TSHRCA1CA2CA7CA9
SCHEMBL6120141 0.81 TSHR (0.40) TSHRCA1CA2CA7CA9
SCHEMBL357592 0.81 TSHR (0.40) TSHRCA1CA2CA7CA9
SCHEMBL13392800 0.81 SLC1A3 (0.41) TSHRCA1CA2CA7CA9
SCHEMBL357591 0.81 TSHR (0.40) TSHRCA1CA2CA7CA9
SCHEMBL28797022 0.81 MEN1 (0.45) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609061-B1 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORP (JP) 1999-09-29 EP claimed
US-5475074-A Copolamerizable monomers containing vinyl benzyl compound, 2,4-diphenyl-4-methyl-1-pentene and an acrylic momomer; also contains mercapto, hindered phenol and azo compounds; high refractive index, heat and radiation resistance TOKUYAMA CORPORATION (JP) 1995-12-12 US claimed
EP-0609061-A2 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORPORATION (JP) 1994-08-03 EP claimed
EP-0609061-B1 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORP (JP) 1999-09-29 EP disclosed
US-5475074-A Copolamerizable monomers containing vinyl benzyl compound, 2,4-diphenyl-4-methyl-1-pentene and an acrylic momomer; also contains mercapto, hindered phenol and azo compounds; high refractive index, heat and radiation resistance TOKUYAMA CORPORATION (JP) 1995-12-12 US disclosed
EP-0609061-A2 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORPORATION (JP) 1994-08-03 EP disclosed