SCHEMBL16360503

SCHEMBL16360503

CC(C)(Br)CCC(CO)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL16360730 0.87 MAPK1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27165259 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1597489 0.80 MAPK1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2386487 0.75 SERPINE1 (0.35)
SCHEMBL13109163 0.75 LMNA (0.35)
SCHEMBL12561788 0.75 THRB (0.38) MAPK1HIF1A
SCHEMBL4540183 0.75 MAPK1 (0.35) MAPK1HIF1A
SCHEMBL16731833 0.75 POLB (0.40) ALDH1A1MAPK1HIF1A
SCHEMBL9897503 0.72 LMNA (0.39)
SCHEMBL10179034 0.72 SERPINE1 (0.42)

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
WO-2013059137-A1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS OLIGASIS (US) 2013-04-25 WO disclosed