SCHEMBL7061265

SCHEMBL7061265

CCCCCCOC(=O)C(CCc1ccccc1)=NO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HDAC3 O15379 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 3/20 0.42
EPHX2 P34913 1/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL7057051 0.99 HPGD (0.48) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL7062414 0.95 TDP1 (0.48) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL7057058 0.89 TDP1 (0.50) ALDH1A1LMNAHPGDTDP1HDAC3
SCHEMBL7058747 0.84 TDP1 (0.54) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL7058644 0.83 TSHR (0.53) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL3916608 0.83 TSHR (0.53) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL9591739 0.83 TSHR (0.53) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL7058582 0.83 L3MBTL1 (0.50) ALDH1A1TDP1HDAC3L3MBTL1
SCHEMBL7061753 0.82 HPGD (0.52) TSHRALDH1A1LMNAHPGDCYP3A4
SCHEMBL7640292 0.81 CETP (0.49) TSHRALDH1A1HPGDCYP3A4MAPK1

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 3 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