SCHEMBL7555069

SCHEMBL7555069

CCOC(=O)n1c(=O)[nH]c2cc(OC)ccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.46
ALOX15 P16050 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR3A P46098 1/20 0.42
HTR4 Q13639 1/20 0.42

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
SCHEMBL7616142 0.83 HTR3A (0.45) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL6219061 0.79 CHRM2 (0.53) KMT2AMEN1
SCHEMBL30644025 0.77 ATM (0.54) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL26619104 0.77 ATM (0.54) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7594169 0.74 POLB (0.46) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5431370 0.74 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL641106 0.74 LMNA (0.58) ALDH1A1HPGDL3MBTL1LMNAKMT2A
SCHEMBL1857924 0.73 LMNA (0.57) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL8125879 0.72 KMO (0.55) ALDH1A1KDM4EHPGDL3MBTL1KMT2A
SCHEMBL8947431 0.71 HTR3A (0.56) ALDH1A1KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265835-A1 PROCESS FOR OBTAINING [1,2,3,5,6,7,8,8A-OCTAHYDRO-1,2,8,8TETRAMETHYLNAPHTHALEN-2-YL]ETHAN-1-ONE Millennium Specialty Chemicals, Inc. (US) 2002-12-18 EP claimed
US-6423874-B1 DECYCLIZATION USING CATALYST MILLENNIUM SPECIALITY CHEMICALS, INC. 2002-07-23 US claimed
WO-2001060777-A1 PROCESS FOR OBTAINING 1, 2, 3, 5, 6, 7, 8, 8A-OLTAHYDRO-1, 2, 8, 8TETRAMETHYLNAPHTHALEN-2-YL!ETAN-1-ONE MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2001-08-23 WO claimed
EP-1265835-A1 PROCESS FOR OBTAINING [1,2,3,5,6,7,8,8A-OCTAHYDRO-1,2,8,8TETRAMETHYLNAPHTHALEN-2-YL]ETHAN-1-ONE Millennium Specialty Chemicals, Inc. (US) 2002-12-18 EP disclosed
US-6423874-B1 DECYCLIZATION USING CATALYST MILLENNIUM SPECIALITY CHEMICALS, INC. 2002-07-23 US disclosed
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 US disclosed
WO-2001060777-A1 PROCESS FOR OBTAINING 1, 2, 3, 5, 6, 7, 8, 8A-OLTAHYDRO-1, 2, 8, 8TETRAMETHYLNAPHTHALEN-2-YL!ETAN-1-ONE MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2001-08-23 WO disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 WO disclosed