SCHEMBL8067005

SCHEMBL8067005

CCOC(=O)C#CC(O)c1cc(OC(C)C)c(OC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP10 Q14694 1/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 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
SCHEMBL5514536 0.96 ALDH1A1 (0.42) PDK1ALDH1A1TDP1KDM4EHTT
SCHEMBL8057843 0.96 ALDH1A1 (0.42) PDK1ALDH1A1TDP1KDM4EHTT
SCHEMBL5515200 0.88 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL7815755 0.84 RECQL (0.40) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL7822888 0.84 ALDH1A1 (0.41) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL8068471 0.81 ALDH1A1 (0.36) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL7823532 0.80 MAPT (0.42) ALDH1A1TDP1KDM4EKMT2ANPC1
SCHEMBL8066949 0.80 SRC (0.48) ALDH1A1TDP1KDM4EHTTKMT2A
SCHEMBL7868341 0.78 MAPT (0.40) ALDH1A1TDP1KMT2AMEN1CYP3A4
SCHEMBL7871688 0.78 MEN1 (0.42) ALDH1A1TDP1KDM4EKMT2AMEN1

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
CN-1066148-C Tricyclic benzazepine compounds MEIJI SEIKA CO (JP) 2001-05-23 CN disclosed
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
CN-1190971-A Tricyclic benzazepine * compounds MEIJI SEIKA CO (JP) 1998-08-19 CN disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed