SCHEMBL9703936

SCHEMBL9703936

C=CC(=O)OCC(C)(C)COOC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 7/20 0.41
THRB P10828 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SERPINE1 P05121 1/20 0.32

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
SCHEMBL262028 0.88 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL4195089 0.85 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL7107705 0.82 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9576144 0.82 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10523874 0.82 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11682404 0.81 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL21252605 0.80 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12862497 0.79 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
Propanol SCHEMBL7030793 0.79 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15494303 0.79 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1

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