SCHEMBL8066949

SCHEMBL8066949

CCOC(=O)C#CC(O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
ALDH1A1 P00352 10/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 10/20 0.45
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
POLB P06746 3/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
F2 P00734 1/20 0.44
RCE1 Q9Y256 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL7815755 0.84 RECQL (0.40) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL5515200 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL7823532 0.80 MAPT (0.42) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL8067005 0.80 PDK1 (0.38) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL7822888 0.80 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL8909083 0.79 SRC (0.52) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL7868341 0.78 MAPT (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7871688 0.78 MEN1 (0.42) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL7827925 0.77 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL8068471 0.76 ALDH1A1 (0.36) ALDH1A1LMNAMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed