SCHEMBL14748469

SCHEMBL14748469

CCOC(=O)c1ccc(Oc2ccc(B3OC(C)(C)C(C)(C)P3)c(CO)c2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
UCHL1 P09936 1/20 0.36
MAPT P10636 2/20 0.35
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOB P27338 2/20 0.33
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL2529968 0.86 UCHL1 (0.45) KMT2AMEN1UCHL1MAPTPTGS2
SCHEMBL19622305 0.77 KMT2A (0.45) KMT2AMEN1MAPTPTGS2KDM4E
SCHEMBL2528859 0.74 UCHL1 (0.44) KMT2AMEN1UCHL1MAPTPTGS2
SCHEMBL11993074 0.74 KMT2A (0.36) KMT2AMEN1UCHL1MAPTLMNA
SCHEMBL7488349 0.69 KMT2A (0.67) KMT2AMEN1KDM4EUSP2LMNA
SCHEMBL2530561 0.69 PDE4B (0.60)
SCHEMBL18015950 0.69 PDE4B (0.48) KMT2AMEN1PTGS2
SCHEMBL8004417 0.68 CA12 (0.38) UCHL1LMNASMN1; SMN2CA12ALDH1A1
SCHEMBL2529054 0.67 F10 (0.44) UCHL1PTGS2LMNAPOLBALDH1A1
SCHEMBL5064664 0.67 UCHL1 (0.43) KMT2AMEN1UCHL1MAPTKDM4E

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-2564857-A1 Boron-containing small molecules as anti-inflammatory agents Anacor Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed