SCHEMBL11216795

SCHEMBL11216795

C=CCOCC(O)COc1c(Br)cc(-c2cc(Br)c(OCC(O)COCC=C)c(Br)c2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.39
CA4 P22748 3/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
CYP2D6 P10635 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL28048089 0.84 THRB (0.42) CA1CA2CA7CA9CA4
SCHEMBL7600877 0.76 LMNA (0.45) CA1CA2CA7CA9TSHR
SCHEMBL14655656 0.75 CA1 (0.47) CA1CA2CA7CA9CA4
SCHEMBL497334 0.74 CA1 (0.74) CA1CA2CA7CA9CA4
SCHEMBL24933047 0.74 CYP2D6 (0.50) CA1CA2CA7TSHRSMN1; SMN2
SCHEMBL24933345 0.74 CYP2D6 (0.50) CA1CA2CA7TSHRSMN1; SMN2
SCHEMBL14886925 0.73 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1THRATHRB
SCHEMBL5478851 0.73 TSHR (0.58) TSHRALDH1A1THRATHRBLMNA
SCHEMBL7160070 0.72 CA1 (0.71) CA1CA2CA7CA9CA4
SCHEMBL12909793 0.72 CA1 (0.71) CA1CA2CA7CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369298-A Novel cured resin, process for production thereof, and lens composed of said resin from bis(alkyleneoxyphenyl)-diacrylate, bis(alkyleneoxyphenyl)diallyl ether, bis(alkyleneoxyphenyl)diallyl carbonate monomers TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1983-01-18 US disclosed