SCHEMBL7958360

SCHEMBL7958360

COc1cc(CN2CCC(CCS(C)(=O)=O)(Cc3ccccc3)C2=O)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 2/20 0.39
HCRTR1 O43613 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7947370 0.90 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL7947626 0.90 KDM4E (0.39) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6998268 0.89 MAPK1 (0.41) MEN1KMT2AMAPK1BCHEACHE
SCHEMBL6999204 0.87 MAPK1 (0.46) MEN1KMT2AMAPK1BCHEACHE
SCHEMBL7956429 0.87 MEN1 (0.39) MEN1KMT2AGAAHCRTR1L3MBTL1
SCHEMBL7956521 0.86 KMT2A (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6996780 0.85 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL7954527 0.83 KDM4E (0.41) MEN1KMT2AACHEL3MBTL1ALDH1A1
SCHEMBL7961446 0.83 HRH1 (0.44) MEN1KMT2AMAPK1BCHEACHE
SCHEMBL6997660 0.81 MAPK1 (0.39) MEN1KMT2AMAPK1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed