Sugi Predict

Sugi Predict / Compounds / SCHEMBL9580207

SCHEMBL9580207

SCHEMBL9580207

C=C(C)C(=O)OCCOc1c(Br)c(Br)c(C(C)(C)c2c(Br)c(Br)c(OCCOC(=O)C(=C)C)c(Br)c2Br)c(Br)c1Br

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ TSHR P16473 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL9719502 0.88 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL4384798 0.86 POLB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL6292018 0.81 THRB (0.51) THRBTSHRPOLBAPEX1HTT
SCHEMBL11801320 0.78 TSHR (0.54) THRBTSHRPOLBAPEX1HTT
SCHEMBL672151 0.77 ALDH1A1 (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL9719403 0.77 POLB (0.43) THRBTSHRPOLBAPEX1HTT
SCHEMBL7074683 0.75 THRB (0.44) THRBTSHRPOLBAPEX1HTT
SCHEMBL1232397 0.73 THRB (0.42) THRBTSHRPOLBAPEX1HTT
SCHEMBL10409149 0.73 ALDH1A1 (0.40) THRBTSHRPOLBAPEX1HTT
SCHEMBL11997925 0.73 THRB (0.43) THRBTSHRPOLBAPEX1HTT

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-5191061-A High impact, radiation transparent plastic for lenses Misubishi Petrochemical Co., Ltd. (JP) 1993-03-02 — — US disclosed