SCHEMBL7767892

SCHEMBL7767892

COC(=O)Cn1c(C)cc(CC2CCCCC2)c([N+](=O)[O-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
AR P10275 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL7771932 0.82 F2 (0.42) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7773566 0.77 MAPT (0.44) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7771927 0.76 KDM4E (0.44) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7771919 0.74 POLB (0.39) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7772080 0.73 ALDH1A1 (0.38) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7772064 0.73 FPR1 (0.39) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7772056 0.73 PDE4B (0.41) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7767875 0.72 KDM4E (0.43) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7771637 0.72 SMN1; SMN2 (0.41) POLBHTTMAPTALDH1A1KDM4E
SCHEMBL7775674 0.72 TP53 (0.48) POLBHTTMAPTALDH1A1HPGD

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