SCHEMBL8939852

SCHEMBL8939852

CCOC(CC(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
FFAR3 O14843 1/20 0.35
CPT2 P23786 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC13A5 Q86YT5 2/20 0.33
ACLY P53396 3/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL30483393 0.82 TSHR (0.33) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28480952 0.82 THRB (0.34) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL13418129 0.80 ALDH1A1 (0.33) TSHRALDH1A1FFAR3LMNA
SCHEMBL181518 0.78 ALDH1A1 (0.40) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL11691834 0.78 ALDH1A1 (0.40) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL10951922 0.76 LMNA (0.33) ALDH1A1FFAR3LMNA
SCHEMBL4329618 0.76 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL9644019 0.76 ALDH1A1 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL9637983 0.76 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL11411184 0.76 TSHR (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693105-A4 DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 1996-05-15 EP disclosed
EP-0693113-A1 SECONDARY (2,3) ALKYL SULFATE SURFACTANTS IN DETERGENT COMPOSITIONS WITH POLYHYDROXY FATTY ACID AMIDES THE PROCTER & GAMBLE COMPANY (US) 1996-01-24 EP disclosed
EP-0693105-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-01-24 EP disclosed
WO-1994024238-A1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1994-10-27 WO disclosed
WO-1994024246-A1 SECONDARY (2,3) ALKYL SULFATE SURFACTANTS IN DETERGENT COMPOSITIONS WITH POLYHYDROXY FATTY ACID AMIDES THE PROCTER & GAMBLE COMPANY (US) 1994-10-27 WO disclosed
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP disclosed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO disclosed