SCHEMBL8442298

SCHEMBL8442298

O=C(O)CC(CC(=O)O)(OC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)C(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
ACLY P53396 3/20 0.33
CPT2 P23786 2/20 0.32
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28799874 1.00 ALDH1A1 (0.40) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
Ammonia Solution, Strong SCHEMBL29089408 0.98 ALDH1A1 (0.39) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL28025181 0.98 ALDH1A1 (0.39) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL5809750 0.97 ALDH1A1 (0.42) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL6055783 0.95 ALDH1A1 (0.40) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL8762186 0.95 ALDH1A1 (0.40) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
Citric Acid SCHEMBL27538183 0.87 ALDH1A1 (0.62) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL20912559 0.85 CYP2C19 (0.44) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL28887606 0.85 CYP2C19 (0.44) ALDH1A1CYP2C19HIF1ACYP2D6TSHR
SCHEMBL27415345 0.85 ALDH1A1 (0.40) ALDH1A1CYP2C19HIF1ACYP2D6TSHR

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-0888434-A1 ENZYMATIC DETERGENT COMPOSITION AND METHOD FOR DEGRADING AND REMOVING BACTERIAL CELLULOSE KAY CHEMICAL COMPANY (US) 1999-01-07 EP disclosed
WO-1997032960-A1 ENZYMATIC DETERGENT COMPOSITION AND METHOD FOR DEGRADING AND REMOVING BACTERIAL CELLULOSE KAY CHEMICAL COMPANY (US) 1997-09-12 WO disclosed
EP-0551375-A1 POLYHYDROXY FATTY ACID AMIDES IN ZEOLITE/LAYERED SILICATE BUILT DETERGENTS. PROCTER & GAMBLE (US) 1993-07-21 EP disclosed
EP-0550606-A1 NONIONIC SURFACTANT SYSTEMS CONTAINING POLYHYDROXY FATTY ACID AMIDES AND ONE OR MORE ADDITIONAL NONIONIC SURFACTANTS. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
EP-0550557-A1 DETERGENT CONTAINING ALKYL SULFATE AND POLYHYDROXY FATTY ACID AMIDE SURFACTANTS. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
WO-1992006160-A1 NONIONIC SURFACTANT SYSTEMS CONTAINING POLYHYDROXY FATTY ACID AMIDES AND ONE OR MORE ADDITIONAL NONIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed
WO-1992006151-A1 POLYHYDROXY FATTY ACID AMIDES IN ZEOLITE/LAYERED SILICATE BUILT DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed
WO-1992006162-A1 DETERGENT CONTAINING ALKYL SULFATE AND POLYHYDROXY FATTY ACID AMIDE SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed