SCHEMBL13920579

SCHEMBL13920579

CCOC(=O)[C@@H]1C[C@@H](O)CN1B(C)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FKBP1A P62942 2/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13604536 0.85 MAPT (0.37) KMT2AMEN1ALDH1A1MAPTFKBP1A
SCHEMBL13920578 0.84 KMT2A (0.34) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13920585 0.83 MMP2 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL13920586 0.83 MMP2 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL18084393 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL13661911 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL2608451 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL16376157 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL2610758 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL13920501 0.78 DPP4 (0.35) ALDH1A1ATM

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
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed