SCHEMBL7640704

SCHEMBL7640704

CC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
MAOB P27338 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL7644182 0.87 TDP1 (0.58) MAPTCRHBPCRHR2L3MBTL1MAOB
SCHEMBL7640060 0.86 TDP1 (0.57) MAPTCRHBPCRHR2L3MBTL1MAOB
SCHEMBL7644533 0.86 TDP1 (0.57) MAPTCRHBPCRHR2L3MBTL1MAOB
SCHEMBL7640823 0.85 MAPT (0.88) MAPTCRHBPCRHR2L3MBTL1TDP1
SCHEMBL7639070 0.85 MEN1 (0.56) MAPTCRHBPCRHR2L3MBTL1MAOB
SCHEMBL7639051 0.84 MAPT (0.70) MAPTCRHBPCRHR2L3MBTL1TDP1
SCHEMBL7640766 0.84 TDP1 (0.63) MAPTL3MBTL1MAOBTDP1KMT2A
SCHEMBL7059147 0.83 CTSL (0.52) MAPTTDP1KMT2AALDH1A1MEN1
SCHEMBL7060447 0.83 CTSL (0.52) MAPTTDP1KMT2AALDH1A1MEN1
SCHEMBL7640310 0.82 MAPT (0.67) MAPTCRHBPCRHR2L3MBTL1TDP1

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