SCHEMBL1138032

SCHEMBL1138032

OBc1ccc(CN2CCOCC2)cc1-c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
PRKD3 O94806 1/20 0.52
KMT2A Q03164 1/20 0.52
PRKD1 Q15139 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 3/20 0.47
HRH3 Q9Y5N1 2/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL4649682 0.80 PDE4B (0.69) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL4115394 0.77 SIGMAR1 (0.72) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL26125846 0.72 POLB (0.56) PDE4BSMN1; SMN2ALDH1A1HRH3POLB
SCHEMBL1138033 0.72 PDE4B (0.53) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
Ammonia Solution, Strong SCHEMBL2931430 0.71 SIGMAR1 (0.58) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL2928330 0.69 SMN1; SMN2 (0.64) PDE4BSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL11196105 0.69 NCF1 (0.83) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.69 HRH3 (0.74) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL16281858 0.68 AXL (0.55) PDE4BALDH1A1MAPTNCF1SIGMAR1
SCHEMBL30417288 0.68 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HPGDMEN1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
EP-1765358-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES Anacor Pharmaceuticals, Inc. (US) 2007-03-28 EP disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed