SCHEMBL9701940

SCHEMBL9701940

C=CC(=O)OC(C)OCC(CC)(COC(C)OC(=O)C=C)COC(C)OC(=O)C=C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 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
SCHEMBL10607102 0.85 TSHR (0.38) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL29144858 0.82 TSHR (0.41) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL9721428 0.81 THRB (0.49) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL11019465 0.81 ALDH1A1 (0.45) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL10607648 0.80 ALDH1A1 (0.47) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL147629 0.80 TSHR (0.45) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL9321436 0.79 THRB (0.46) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL28652150 0.79 ALDH1A1 (0.42) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL10575850 0.78 THRB (0.53) THRBTSHRALDH1A1TP53CYP3A4
SCHEMBL25475957 0.77 TSHR (0.47) THRBTSHRALDH1A1TP53CYP3A4

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
EP-0469973-A1 Method for forming relief patterns MITSUBISHI RAYON CO., LTD (JP) 1992-02-05 EP disclosed