SCHEMBL30849893

SCHEMBL30849893

C/C=C/C(=O)OCC(COC(=O)/C=C/C)(COC(=O)/C=C/C)COC(=O)/C=C/C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSTP1 P09211 1/20 0.39
HCAR2 Q8TDS4 6/20 0.37
ATM Q13315 1/20 0.37
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MAPT P10636 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
SCHEMBL22092321 0.94 MAPK1 (0.39) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL29362627 0.89 THRB (0.44) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL29634762 0.89 ALDH1A1 (0.53) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL5175932 0.89 ALDH1A1 (0.53) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL9329189 0.89 ALDH1A1 (0.53) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL20530424 0.85 ALDH1A1 (0.55) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL12462139 0.85 MAPK1 (0.42) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL21636809 0.84 GSTP1 (0.38) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL10943665 0.84 GSTP1 (0.38) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL9004563 0.84 GSTP1 (0.38) MAPK1HIF1AALDH1A1TP53CYP3A4

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-2723790-B1 SUGAR-BASED POLYURETHANES, METHODS FOR THEIR PREPARATION, AND METHODS OF USE THEREOF SES FOAM LLC (US) 2024-03-20 EP disclosed