SCHEMBL2376423

SCHEMBL2376423

C=C(C(=O)OCCOCCOCCO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PTK2B Q14289 1/20 0.36
KCNH3 Q9ULD8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL9738620 1.00 SMN1; SMN2 (0.46) SMN1; SMN2GAATDP1ATMALDH1A1
SCHEMBL1976801 0.90 GAA (0.46) SMN1; SMN2GAATDP1ATMALDH1A1
Methane SCHEMBL20580381 0.88 GAA (0.45) SMN1; SMN2GAATDP1ATMALDH1A1
SCHEMBL28102581 0.84 THRB (0.54) SMN1; SMN2GAATDP1ATMALDH1A1
SCHEMBL597720 0.83 TDP1 (0.50) SMN1; SMN2GAATDP1ATMALDH1A1
SCHEMBL194429 0.83 SMN1; SMN2 (0.45) SMN1; SMN2GAATDP1ALDH1A1MAPT
SCHEMBL13875404 0.83 SMN1; SMN2 (0.45) SMN1; SMN2GAATDP1ALDH1A1MAPT
Di(Hydroxyethyl)Ether SCHEMBL28020987 0.83 SMN1; SMN2 (0.47) SMN1; SMN2GAATDP1ATMALDH1A1
SCHEMBL11804059 0.82 SMN1; SMN2 (0.42) SMN1; SMN2TDP1ATMALDH1A1MAPT
SCHEMBL12443036 0.81 TDP1 (0.51) GAATDP1ATMALDH1A1MAPT

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-20110218289-A1 MIXTURE COMPOSITION CONTAINING COPOLYMERS BASED ON UNSATURATED CARBOXYLIC ACID AND ALKENYL ETHER DERIVATIVES AND COPOLYMERS AND TERPOLYMERS CONTAINING SULFO GROUPS AND USE THEREOF MAIER MARKUS 2011-09-08 US disclosed
US-20070287817-A1 Mixture Composition Containing Unsaturated Carboxylic Acid and Alkene Ether Derivative Based Copolymers and Copolymers and Terpolymers Containing Sulfo Groups and Use Thereof CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2007-12-13 US disclosed