SCHEMBL9705026

SCHEMBL9705026

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9406740 0.82 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27881249 0.79 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23494110 0.77 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28091218 0.74 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29458068 0.72 ALDH1A1 (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29845619 0.72 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23493849 0.72 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23174692 0.72 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14863928 0.71 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3146174 0.70 ALDH1A1 (0.57) TSHRALDH1A1TP53HIF1ACYP3A4

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-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed