SCHEMBL14748451

SCHEMBL14748451

NCc1cccc(Oc2ccc3c(c2)COB3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.42
MAOB P27338 4/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP1 Q9C000 1/20 0.36
NOD2 Q9HC29 1/20 0.36
LMNA P02545 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL8010793 0.92 ST14 (0.51) ST14MAOB
SCHEMBL5801556 0.82 PDE4A (0.49) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL14748454 0.82 MAOB (0.53) MAOBALDH1A1MEN1MITFGAA
SCHEMBL7995257 0.79 SMN1; SMN2 (0.51) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL19622266 0.78 ALDH1A1 (0.47) MAOBALDH1A1HPGDMEN1MITF
SCHEMBL8012418 0.76 MAOA (0.40) MAOBALDH1A1MEN1MAPTKMT2A
SCHEMBL4949955 0.75 ST14 (0.58) ST14MAOBALDH1A1MEN1MITF
SCHEMBL8007094 0.75 PDE4A (0.50) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL8007552 0.75 PDE4A (0.50) MAOBALDH1A1KDM4EHPGDMEN1
SCHEMBL14748434 0.75 PDE4A (0.50) MAOBALDH1A1HTTMEN1MAPT

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-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-2564857-A1 Boron-containing small molecules as anti-inflammatory agents Anacor Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed