SCHEMBL7058635

SCHEMBL7058635

CC(C)OC(=O)C(=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 2/20 0.52
KEAP1 Q14145 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PLAAT5 Q96KN8 3/20 0.47
PLAAT4 Q9UL19 3/20 0.47
FFAR1 O14842 2/20 0.47
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
PLAAT3 P53816 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL7641654 0.90 HDAC1 (0.53) TSHRTDP1KMT2APLAAT5PLAAT4
SCHEMBL7641646 0.89 MAPT (0.53) TSHRALDH1A1KMT2APLAAT5PLAAT4
SCHEMBL7633354 0.87 MAPT (0.56) TSHRPLAAT5PLAAT4SMN1; SMN2PLAAT3
SCHEMBL7635416 0.87 MAPT (0.56) TSHRPLAAT5PLAAT4SMN1; SMN2PLAAT3
SCHEMBL7061795 0.85 ALDH1A1 (0.47) TSHRALDH1A1KEAP1TDP1KMT2A
SCHEMBL7324697 0.84 KMT2A (0.47) TSHRALDH1A1KEAP1TDP1KMT2A
SCHEMBL7061786 0.83 PLAAT3 (0.53) KMT2AMEN1PLAAT5PLAAT4FFAR1
SCHEMBL7060219 0.83 PLAAT3 (0.46) TSHRKMT2APLAAT5PLAAT4FFAR1
SCHEMBL7642338 0.82 TSHR (0.68) TSHRALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL3183513 0.82 TSHR (0.68) TSHRALDH1A1KEAP1TDP1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
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-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-B1 BICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-05 EP disclosed
EP-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed