SCHEMBL16237809

SCHEMBL16237809

CCOC(=O)c1cc(OC)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP3A4 P08684 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B2 P37059 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2826202 0.90 BRD4 (0.47) UCHL1MEN1KMT2APKMCA12
SCHEMBL14746472 0.89 CA12 (0.49) UCHL1MEN1KMT2ACA12CA1
SCHEMBL16861683 0.86 ALDH1A1 (0.42) UCHL1MEN1KMT2APKMCA12
SCHEMBL2825580 0.86 UCHL1 (0.40) UCHL1CA12CA1CA2CA7
SCHEMBL2823123 0.85 BRD4 (0.41) UCHL1MEN1KMT2ACA12CA1
SCHEMBL20377196 0.84 CA12 (0.59) UCHL1MEN1KMT2ACA12CA1
SCHEMBL16559890 0.84 CA12 (0.44) UCHL1MEN1KMT2ACA12CA1
SCHEMBL1857506 0.84 CA12 (0.44) UCHL1MEN1KMT2ACA12CA1
SCHEMBL2822082 0.82 ALDH1A1 (0.42) UCHL1MEN1KMT2ACA12CA1
SCHEMBL2821676 0.82 BRD4 (0.39) UCHL1MEN1KMT2ACA12CA1

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-2014186704-A2 NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS N30 PHARMACEUTICALS, INC. (US) 2014-11-20 WO disclosed