SCHEMBL7350227

SCHEMBL7350227

CCCCCc1cc(C=O)c(O)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.41
ALDH1A1 P00352 4/20 0.40
ERN1 O75460 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F7 P08709 2/20 0.40
F3 P13726 1/20 0.40
EIF4A1 P60842 1/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 2/20 0.39
MAPT P10636 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL7357599 0.89 ALDH1A1 (0.42) PELI1ALDH1A1SMN1; SMN2NPSR1F7
SCHEMBL7357603 0.89 ALDH1A1 (0.42) PELI1ALDH1A1SMN1; SMN2NPSR1F7
SCHEMBL7359628 0.82 PDE4A (0.47) PELI1ALDH1A1ERN1SMN1; SMN2NPSR1
SCHEMBL7354395 0.79 PDE4A (0.45) PELI1ALDH1A1ERN1F7MAPT
SCHEMBL7350348 0.79 PDE4B (0.61) PELI1ALDH1A1F7F3MAPT
SCHEMBL7441450 0.78 KCNH2 (0.45) ALDH1A1EIF4A1MAPTAKR1C3AKR1C2
SCHEMBL7348901 0.77 PDE4A (0.48) PELI1ERN1F7F3MAPT
SCHEMBL5734991 0.76 ERN1 (0.54) PELI1ALDH1A1ERN1SMN1; SMN2NPSR1
SCHEMBL11615026 0.75 ERN1 (0.51) ERN1
SCHEMBL7941698 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2EIF4A1MAOAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0834508-B1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-16 EP disclosed
US-5877190-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-02 US disclosed
EP-0834508-A1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-08 EP disclosed