SCHEMBL8274693

SCHEMBL8274693

NCc1ccc(C(=O)N2CC(O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
LOXL2 Q9Y4K0 5/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
VNN1 O95497 1/20 0.42
KDM1A O60341 1/20 0.42
PDK2 Q15119 1/20 0.41
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LOX P28300 3/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
LOXL3 P58215 2/20 0.39

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
SCHEMBL13920471 0.87 LOXL2 (0.51) LOXL2VNN1PDK2L3MBTL3L3MBTL1
SCHEMBL13920470 0.87 LOXL2 (0.51) LOXL2VNN1PDK2L3MBTL3L3MBTL1
SCHEMBL13920475 0.84 MRGPRX4 (0.51) LOXL2VNN1L3MBTL1LOXLOXL3
SCHEMBL8275304 0.83 GRM5 (0.56) L3MBTL3L3MBTL1ALDH1A1HPGD
SCHEMBL17850465 0.83 ALDH1A1 (0.48) TLR2TLR1ALDH1A1HPGDPLA2G1B
SCHEMBL15172210 0.82 GAA (0.62) LOXL2ALDH1A1HPGDPLA2G1BATG4B
SCHEMBL7903359 0.80 CA12 (0.51) PDK2L3MBTL3L3MBTL1ALDH1A1HPGD
SCHEMBL28202826 0.80 NPC1 (0.53) TLR2TLR1ALDH1A1HPGDPLA2G1B
SCHEMBL8274181 0.79 TLR2 (0.39) TLR2TLR1VNN1PDK2L3MBTL3
SCHEMBL18765947 0.79 HPGD (0.62) L3MBTL3L3MBTL1ALDH1A1HPGDKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 WO disclosed