SCHEMBL9508270

SCHEMBL9508270

C=CC(=O)Oc1cc(C(C)(C)c2cc(OC(=O)C=C)c(OCC)c(OCC)c2OCC)c(OCC)c(OCC)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.36
THRA P10827 1/20 0.36
TSHR P16473 2/20 0.35
EGFR P00533 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BPTF Q12830 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
HCRTR1 O43613 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
SCHEMBL6053983 0.90 TSHR (0.40) THRBTHRATSHREGFRMEN1
SCHEMBL27674430 0.89 THRB (0.35) THRBTHRATSHREGFRMEN1
SCHEMBL11136673 0.88 TSHR (0.35) THRBTHRATSHREGFRMEN1
SCHEMBL32674600 0.88 TSHR (0.35) THRBTHRATSHREGFRMEN1
SCHEMBL29385502 0.86 THRB (0.39) THRBTHRATSHREGFRMEN1
SCHEMBL228775 0.86 THRB (0.39) THRBTHRATSHREGFRMEN1
SCHEMBL28110850 0.84 TSHR (0.46) THRBTHRATSHREGFRMEN1
SCHEMBL32674604 0.83 MEN1 (0.35) THRBTHRATSHREGFRMEN1
SCHEMBL9316726 0.83 MEN1 (0.35) THRBTHRATSHREGFRMEN1
SCHEMBL32674605 0.82 EGFR (0.33) THRBTHRATSHREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5005011-A None JP disclosed
JP-H055011-A CAST MOLDING RESIN FOR LENS OF EYEGLASS NIPPON OIL & FATS CO LTD 1993-01-14 JP disclosed