SCHEMBL7634852

SCHEMBL7634852

O=C(Cc1ccccc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
CTBP2 P56545 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR4A2 P43354 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
P2RX7 Q99572 1/20 0.43
P2RX4 Q99571 1/20 0.42
CXCL8 P10145 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7640101 0.85 TP53 (0.53) ALDH1A1L3MBTL1MAPK1SIGMAR1KMT2A
SCHEMBL1988505 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL7642348 0.84 AKR1B1 (0.51) ALDH1A1L3MBTL1MAPK1SIGMAR1SLC6A2
SCHEMBL7636977 0.81 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3
SCHEMBL7641604 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1SIGMAR1SLC6A2
SCHEMBL7638993 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1CTBP2SLC6A2
SCHEMBL7633415 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1SIGMAR1SLC6A2
SCHEMBL7643042 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1SIGMAR1SLC6A2
SCHEMBL7642355 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1CTBP2KMT2A
SCHEMBL7639146 0.79 L3MBTL1 (0.54) ALDH1A1L3MBTL1MAPK1SLC6A2SLC6A3

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