SCHEMBL7635513

SCHEMBL7635513

COC(=O)C(CCCCOc1cccc(C)c1)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.49
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL7641705 0.90 L3MBTL1 (0.67) L3MBTL1MAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7639387 0.88 L3MBTL1 (0.52) L3MBTL1MAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7640034 0.85 TDP1 (0.58) L3MBTL1MAPK1TDP1ALDH1A1TSHR
SCHEMBL7641968 0.84 MAPK1 (0.58) L3MBTL1MAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7636953 0.84 TDP1 (0.57) L3MBTL1MAPK1TDP1ALDH1A1TSHR
SCHEMBL7636485 0.84 TDP1 (0.57) L3MBTL1MAPK1TDP1ALDH1A1TSHR
SCHEMBL7639040 0.84 MEN1 (0.61) L3MBTL1MAPK1TDP1ALDH1A1TSHR
SCHEMBL7637089 0.81 TDP1 (0.64) L3MBTL1MAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7634141 0.80 TSHR (0.55) L3MBTL1MAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL7642777 0.78 SMN1; SMN2 (0.49) L3MBTL1MAPK1TDP1SMN1; SMN2ALDH1A1

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