SCHEMBL7772080

SCHEMBL7772080

COC(=O)Cn1c(C)cc(Cc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7771637 0.91 SMN1; SMN2 (0.41) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL7771919 0.88 POLB (0.39) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL7771927 0.87 KDM4E (0.44) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL7775674 0.85 TP53 (0.48) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL7767875 0.85 KDM4E (0.43) ALDH1A1MAPTPOLBHTTTP53
SCHEMBL7771929 0.83 SCN5A (0.40) ALDH1A1MAPTPOLBTP53SMN1; SMN2
SCHEMBL7772064 0.82 FPR1 (0.39) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL8107158 0.79 IDH1 (0.39) SMN1; SMN2
SCHEMBL7775637 0.75 PTGDR2 (0.41) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL7773566 0.75 MAPT (0.44) ALDH1A1MAPTPOLBHTTSMN1; 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