Sugi Predict

Sugi Predict / Compounds / Butadiene

Butadiene

Butadiene

SCHEMBL10409182

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

nearest known ligand 0.72

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.72
▸ HIF1A Q16665 4/20 0.72
▸ TP53 P04637 3/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ THRB P10828 2/20 0.48
▸ TSHR P16473 7/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HPGD P15428 1/20 0.43

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
SCHEMBL101492 0.95 ALDH1A1 (0.78) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL18123455 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL28253588 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL20690222 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL16805960 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL268293 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
Acrylic Acid SCHEMBL9170386 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL19652444 0.88 ALDH1A1 (0.69) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL6664674 0.86 ALDH1A1 (0.96) ALDH1A1HIF1ATP53CYP3A4MAPK1
SCHEMBL13991597 0.85 ALDH1A1 (0.64) ALDH1A1HIF1ATP53CYP3A4MAPK1

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
US-4963617-A CONTAINING GLYCIDYL (METH)ACRYLATE SOCIETE CHIMIQUE DES CHARBONNAGES S.A. (FR) 1990-10-16 — — US claimed