SCHEMBL9701929

SCHEMBL9701929

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.37
TSHR P16473 8/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29144857 0.84 TSHR (0.37) THRBTSHRHPGDALDH1A1TP53
SCHEMBL29129025 0.82 TSHR (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL4888494 0.82 TSHR (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL29367826 0.78 ALDH1A1 (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL29617987 0.77 ALDH1A1 (0.42) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28490122 0.74 TSHR (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27519280 0.74 THRB (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27494684 0.73 TSHR (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL147629 0.73 TSHR (0.45) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27496685 0.72 THRB (0.35) THRBTSHRHPGDALDH1A1TP53

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