SCHEMBL7640264

SCHEMBL7640264

CCOC(=O)C(=O)CCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.50
KCNH2 Q12809 2/20 0.49
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
PTGS2 P35354 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47

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
SCHEMBL16245527 0.88 MAPT (0.68) MAPTCRHBPCRHR2L3MBTL1HRH2
SCHEMBL5467715 0.86 MAPT (0.69) MAPTCRHBPCRHR2L3MBTL1HRH2
SCHEMBL7642023 0.86 MAPT (0.60) MAPTCRHBPCRHR2L3MBTL1HRH2
SCHEMBL7634106 0.86 HDAC3 (0.63) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL12826614 0.86 FAAH (0.54) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7635313 0.84 MEN1 (0.57) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL7437269 0.84 MAPT (0.60) MAPTCRHBPCRHR2L3MBTL1HRH2
SCHEMBL6335807 0.83 MAPT (0.66) MAPTCRHBPCRHR2L3MBTL1HRH2
SCHEMBL7640013 0.83 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL7635308 0.82 DRD2 (0.51) MAPTCRHBPCRHR2L3MBTL1KMT2A

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-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed