SCHEMBL7634871

SCHEMBL7634871

CC(=O)C(CCCCCOc1ccc(C(C)(C)C)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
CYP2C19 P33261 1/20 0.46
NR4A2 P43354 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ITGB3 P05106 5/20 0.42

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
SCHEMBL7644533 0.90 TDP1 (0.57) KMT2ATDP1MEN1ALDH1A1L3MBTL1
SCHEMBL7640060 0.90 TDP1 (0.57) KMT2ATDP1MEN1ALDH1A1L3MBTL1
SCHEMBL7644182 0.88 TDP1 (0.58) KDM4EKMT2ATDP1MEN1ALDH1A1
SCHEMBL7639070 0.86 MEN1 (0.56) GAAKDM4EKMT2ATDP1MEN1
SCHEMBL7636412 0.85 L3MBTL1 (0.58) GAAKMT2ATDP1POLBMEN1
SCHEMBL7640766 0.84 TDP1 (0.63) KMT2ATDP1MEN1ALDH1A1L3MBTL1
SCHEMBL7642830 0.83 MMP1 (0.47) GAAKDM4EMITFKMT2ATDP1
SCHEMBL7640316 0.81 TDP1 (0.53) KDM4EKMT2ATDP1NR4A2MEN1
SCHEMBL7635594 0.81 MMP1 (0.45) GAAKDM4EMITFKMT2ATDP1
SCHEMBL7640704 0.81 MAPT (0.65) KDM4EKMT2ATDP1CYP2C19MEN1

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