SCHEMBL7640091

SCHEMBL7640091

CC(C)(C)CC/C(=N/O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTBP2 P56545 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2C P28335 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
SYK P43405 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7640094 1.00 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7638985 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7061545 0.82 TDP1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7636922 0.82 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7636069 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7642758 0.80 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7635677 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7642801 0.79 HDAC1 (0.54) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7640292 0.79 CETP (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7640327 0.79 CETP (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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