SCHEMBL5330885

SCHEMBL5330885

CCOC(=O)c1c(O)c2cc(F)ccc2n(CCC2CCCCC2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 4/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.48
CYP2C9 P11712 3/20 0.47
NR1I2 O75469 1/20 0.47
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX5 P09917 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5335435 0.99 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5332751 0.96 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5330384 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL8245604 0.80 HIF1A (0.61) CYP2C9NR1I2HIF1A
SCHEMBL31329665 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5529472 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5334103 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL8247183 0.79 HIF1A (0.62) CYP2C9NR1I2HIF1A
SCHEMBL7078510 0.79 CYP2C9 (0.52) ALDH1A1SMN1; SMN2CYP2C9NR1I2HIF1A
SCHEMBL5329339 0.78 KDM4E (0.61) 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