SCHEMBL7445365

SCHEMBL7445365

O=C(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.70
FNTA P49354 1/20 0.70
FNTB P49356 1/20 0.70
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 1/20 0.65
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
CASP1 P29466 1/20 0.53
NMBR P28336 1/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL6100777 0.86 MEN1 (0.74) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL3845771 0.83 PKM (0.74) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL9437495 0.83 SLC6A2 (0.54) SLC6A2FNTAFNTBMEN1KMT2A
Kurasoin B SCHEMBL29489947 0.83 SLC6A2 (1.00) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL7640139 0.80 KMT2A (0.68) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL125249 0.79 MEN1 (1.00) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL27763159 0.79 MEN1 (1.00) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL29362070 0.79 MEN1 (1.00) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL4071928 0.78 LMNA (0.70) SLC6A2FNTAFNTBMEN1KMT2A
SCHEMBL7959971 0.78 CASP1 (0.64) SLC6A2FNTAFNTBMAPTLMNA

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 11 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
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
US-5703106-A TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS JAPAT LTD. (CH) 1997-12-30 US disclosed
CN-1145075-A Antagonist's of endothelin receptors JAPAT LTD (CH) 1997-03-12 CN disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed
EP-0321516-B1 3-INDOLEPYRUVIC ACID DERIVATIVES AND PHARMACEUTICAL USE THEREOF POLIFARMA S.p.A. (IT) 1993-03-03 EP disclosed
US-5002963-A Central Nervous System Disorders POLIFARMA S.P.A. (IT) 1991-03-26 US disclosed