SCHEMBL9533564

SCHEMBL9533564

CCOC(=O)CC(C(=O)O)S(=O)(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 7/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 2/20 0.36
ALOX15 P16050 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3092985 1.00 RECQL (0.45) RECQLGAAMGAMSIMGAM2
SCHEMBL3857717 0.98 RECQL (0.46) RECQLGAAMGAMSIMGAM2
SCHEMBL17925316 0.90 RECQL (0.44) RECQLGAAMGAMSIMGAM2
SCHEMBL27329281 0.89 RECQL (0.51) RECQLGAAMGAMSIMGAM2
SCHEMBL662228 0.89 RECQL (0.51) RECQLGAAMGAMSIMGAM2
SCHEMBL342416 0.86 RECQL (0.53) RECQLGAAMGAMSIMGAM2
SCHEMBL5702076 0.85 RECQL (0.51) RECQLGAAMGAMSIMGAM2
SCHEMBL5702216 0.85 RECQL (0.51) RECQLGAAMGAMSIMGAM2
SCHEMBL27475344 0.84 RECQL (0.48) RECQLALDH1A1TDP1CHRM1NPSR1
SCHEMBL18312938 0.83 GAA (0.46) RECQLGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550652-A1 DETERGENT COMPOSITIONS CONTAINING ALKYL ETHOXY CARBOZYLATES AND POLYHYDROXY FATTY ACID AMIDES. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
WO-1992006157-A1 DETERGENT COMPOSITIONS CONTAINING ALKYL ETHOXY CARBOZYLATES AND POLYHYDROXY FATTY ACID AMIDES THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed