SCHEMBL15529258

SCHEMBL15529258

C=CCOCCS(=O)(=O)CCOCC=C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 4/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 3/20 0.37
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA7 P43166 2/20 0.31
CA12 O43570 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
SCHEMBL15529257 0.83 MEN1 (0.34) POLBMEN1KMT2A
SCHEMBL15529259 0.83 MEN1 (0.34) POLBMEN1KMT2A
SCHEMBL13933646 0.81 POLB (0.38) POLBMEN1KMT2ACA2CA9
SCHEMBL7472646 0.81 POLB (0.42) POLBMEN1KMT2ACA2CA9
SCHEMBL2724427 0.81 PTGS1 (0.39) POLBMEN1KMT2ACA2CA9
SCHEMBL19285446 0.81 CA2 (0.40) POLBMEN1KMT2ACA2CA9
SCHEMBL28225264 0.79 PTGS1 (0.37) POLBMEN1KMT2ACA2CA9
SCHEMBL19285342 0.79 KDM4E (0.41) POLBMEN1KMT2ACA2CA9
SCHEMBL17464307 0.78 MEN1 (0.35) POLBMEN1KMT2AALDH1A1
Hydrogen Peroxide SCHEMBL28224599 0.78 PTGS1 (0.36) POLBMEN1KMT2ACA2CA1

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-2013167297-A2 METHOD FOR SHAPING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2013-11-14 WO disclosed