SCHEMBL5330384

SCHEMBL5330384

CCOC(=O)c1c(O)c2cc(F)ccc2n(CCC(C)(C)C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 4/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.46
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
ALOX5 P09917 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5332751 0.86 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5334103 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5335435 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL31329665 0.83 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5529472 0.83 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5330885 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5329339 0.82 KDM4E (0.61) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL2087385 0.81 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5124064 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5531254 0.80 KDM4E (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAHTT

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
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed