SCHEMBL8996636

SCHEMBL8996636

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SLC22A6 Q4U2R8 2/20 0.35
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 1/20 0.34
CYP1A2 P05177 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
GRIK1 P39086 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL11412538 0.98 TDP1 (0.42) FOLH1TDP1SMN1; SMN2LMNAALKBH5
Monoethanolamine SCHEMBL11548668 0.89 LMNA (0.34) FOLH1TDP1SMN1; SMN2LMNACYP1A2
SCHEMBL11402058 0.87 TSHR (0.42) FOLH1TDP1SMN1; SMN2LMNASLC22A6
Diethanolamine SCHEMBL11543613 0.86 FOLH1 (0.32) FOLH1SMN1; SMN2
Trolamine SCHEMBL11548411 0.86 FOLH1 (0.32) FOLH1
SCHEMBL11411192 0.85 ALDH1A1 (0.45) FOLH1TDP1LMNASLC22A6TSHR
SCHEMBL11392955 0.84 ALDH1A1 (0.48) TDP1LMNASLC22A6TSHR
SCHEMBL11404579 0.84 ALDH1A1 (0.48) TDP1LMNASLC22A6TSHR
SCHEMBL14990804 0.82 CYP1A2 (0.32) FOLH1TDP1SMN1; SMN2CYP1A2
SCHEMBL4968928 0.82 TDP1 (0.39) FOLH1TDP1SMN1; SMN2LMNASLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484555-A SURFACTANTS WITH NITROGEN COMPOUND AND METAL SALT WITH ZINC, ALUMINUM, MANGANESE OR IRON IONS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-01-16 US disclosed
EP-0588413-A1 Detergent composition UNILEVER N.V. (NL) 1994-03-23 EP disclosed
US-4959179-A POLYOL, BORON COMPOUND LEVER BROTHERS COMPANY (US) 1990-09-25 US disclosed
US-RE30755-E PREFERENTIAL REACTION OF AN ALKALI CARBONATE AND THE IMPURE ZINC OR ALKALINE SALTS; STOICHIOMETRY ETHYL CORPORATION (US) 1981-09-29 US disclosed