SCHEMBL7642407

SCHEMBL7642407

COC(CCC(=O)C(=O)OCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
CCKBR P32239 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL7636517 0.91 ALDH1A1 (0.45) ALDH1A1MEN1POLBMAPTKMT2A
SCHEMBL20023071 0.88 CA1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CNR2
SCHEMBL7638327 0.86 UTS2R (0.40) UTS2RTP53ALDH1A1MEN1POLB
SCHEMBL7641996 0.83 SMN1; SMN2 (0.43) UTS2RALDH1A1MEN1POLBMAPT
SCHEMBL7643119 0.82 AOC3 (0.45) UTS2RL3MBTL1CNR2AOC3
SCHEMBL7639739 0.80 ELANE (0.43) UTS2RTP53ALDH1A1FFAR1CHRNB2
SCHEMBL7634115 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7633359 0.78 AOC3 (0.42) UTS2RMEN1KMT2AL3MBTL1AOC3
SCHEMBL7638616 0.78 KMT2A (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL7634845 0.77 LMNA (0.44) UTS2RALDH1A1MAPTFFAR1CNR2

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