SCHEMBL7035623

SCHEMBL7035623

COC(=O)C1C=CC(=O)C=C1.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNTT P04053 3/20 0.36
POLB P06746 2/20 0.34
POLA1 P09884 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.32
SETD7 Q8WTS6 1/20 0.31
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
MIF P14174 1/20 0.30
HTT P42858 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL11076557 0.98 DNTT (0.37) DNTTPOLBPOLA1ALDH1A1KMT2A
SCHEMBL8709284 0.78
SCHEMBL12494483 0.78 CYP2C19 (0.39) POLBALDH1A1HTT
SCHEMBL12467437 0.75 DNTT (0.31) DNTTPOLB
SCHEMBL598037 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19346720 0.74
SCHEMBL28750893 0.72 ALDH1A1 (0.33) POLBALDH1A1BRD4CYP1A2
SCHEMBL27590444 0.72 ALDH1A1 (0.33) POLBALDH1A1BRD4CYP1A2
SCHEMBL12870314 0.72 ALDH1A1 (0.33) POLBALDH1A1BRD4CYP1A2
SCHEMBL27608813 0.72 ALDH1A1 (0.33) POLBALDH1A1BRD4CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468677-B1 An antireflux syrup DMG ITALIA SRL (IT) 2012-08-08 EP disclosed
EP-1468677-A2 An antireflux syrup D.M.G. Italia Srl (IT) 2004-10-20 EP disclosed