SCHEMBL8377259

SCHEMBL8377259

CCOC(=O)CO.COCCOc1cccc(OC)c1OCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 1/20 0.42
ALOX15 P16050 1/20 0.42
ACHE P22303 1/20 0.42
KCNH2 Q12809 1/20 0.42
HIF1A Q16665 1/20 0.42
FDPS P14324 1/20 0.41
HPGD P15428 3/20 0.41
TNFRSF1A P19438 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
Glycolic Acid SCHEMBL8378550 0.85 ALDH1A1 (0.55) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
Ethaneperoxoic Acid SCHEMBL8378954 0.80 SMN1; SMN2 (0.56) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL8636168 0.79 L3MBTL1 (0.47) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL1327130 0.77 ALDH1A1 (0.53) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL28657631 0.75 ALDH1A1 (0.53) SMN1; SMN2LMNAMAPTALDH1A1MAPK1
SCHEMBL14336129 0.72 SMN1; SMN2 (0.45) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL17506950 0.71 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL14211134 0.71 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL3079874 0.71 SMN1; SMN2 (0.55) SMN1; SMN2LMNAL3MBTL1MAPTALDH1A1
SCHEMBL7389507 0.71 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRGAACYP1A2

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
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed