SCHEMBL7640872

SCHEMBL7640872

CCOC(=O)C(CCCOc1ccc(C)cc1Br)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.58
MAPK1 P28482 3/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 7/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 6/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 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
SCHEMBL7640989 0.90 TDP1 (0.55) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7641228 0.88 TDP1 (0.50) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7638313 0.86 KDM4E (0.53) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7636044 0.83 MEN1 (0.51) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7636963 0.81 TDP1 (0.56) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7636491 0.75 L3MBTL1 (0.57) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7642671 0.75 MEN1 (0.78) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL11566385 0.75 L3MBTL1 (0.58) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL16834317 0.74 L3MBTL1 (0.75) L3MBTL1MAPK1MEN1KMT2ATDP1
SCHEMBL7641705 0.73 L3MBTL1 (0.67) L3MBTL1MAPK1MEN1KMT2ATDP1

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