SCHEMBL7635594

SCHEMBL7635594

CC(=O)C(CCCCCOc1ccc(C(C)(C)C)cc1)C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 3/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
MITF O75030 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RARB P10826 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL7642830 0.88 MMP1 (0.47) MMP1MMP3MAPTL3MBTL1SMN1; SMN2
SCHEMBL7636412 0.86 L3MBTL1 (0.58) MMP1MMP3MAPTL3MBTL1SMN1; SMN2
SCHEMBL7641777 0.85 MEN1 (0.58) MMP1MMP3MAPTL3MBTL1SMN1; SMN2
SCHEMBL7643116 0.85 TDP1 (0.55) MAPTL3MBTL1GAAKMT2AMEN1
SCHEMBL7640827 0.85 TDP1 (0.55) MAPTL3MBTL1GAAKMT2AMEN1
SCHEMBL7637931 0.83 TDP1 (0.56) MAPTL3MBTL1KMT2AMEN1CRHBP
SCHEMBL7634871 0.81 GAA (0.50) MAPTL3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL7635263 0.80 KMT2A (0.48) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL7640310 0.80 MAPT (0.67) MAPTL3MBTL1GAAKMT2AMEN1
SCHEMBL7640173 0.79 TDP1 (0.61) MAPTL3MBTL1KMT2AMEN1TDP1

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