SCHEMBL7772056

SCHEMBL7772056

COC(=O)Cn1c(C)cc(OC(C)C)c([N+](=O)[O-])c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDK1 Q15118 1/20 0.38
P2RX3 P56373 4/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7773566 0.82 MAPT (0.44) PDE4BMAPTPOLBHTTKDM4E
SCHEMBL7773563 0.81 SMN1; SMN2 (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7772077 0.80 MAPT (0.37) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7771927 0.74 KDM4E (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7772059 0.74 SMN1; SMN2 (0.43) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7772045 0.73 F2 (0.44) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7771919 0.73 POLB (0.39) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7767892 0.73 POLB (0.39) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7772080 0.71 ALDH1A1 (0.38) MAPTPOLBHTTKDM4ESMN1; SMN2
SCHEMBL7772064 0.71 FPR1 (0.39) MAPTPOLBHTTKDM4ESMN1; SMN2

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-6252082-B1 CARDIOVASCUALR DISORDERS SANOFI-SYNTHELABO (FR) 2001-06-26 US disclosed