SCHEMBL7058644

SCHEMBL7058644

CCCCCCOC(=O)C(=O)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
PPARG P37231 3/20 0.49
HDAC3 O15379 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL9591739 1.00 TSHR (0.53) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL3916608 1.00 TSHR (0.53) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL7061753 0.98 HPGD (0.52) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL7056428 0.94 TDP1 (0.53) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL3919269 0.88 TDP1 (0.56) ALDH1A1LMNAHPGDTDP1HDAC3
SCHEMBL23581130 0.85 TDP1 (0.72) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL9095447 0.85 TSHR (0.55) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL7636074 0.85 TDP1 (0.72) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL19066804 0.85 TDP1 (0.72) TSHRALDH1A1LMNAHPGDTDP1
SCHEMBL27229986 0.85 TDP1 (0.72) TSHRALDH1A1LMNAHPGDTDP1

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