SCHEMBL11041780

SCHEMBL11041780

CC(CCOCCOCCO)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5063480 0.81 SMN1; SMN2 (0.40) TSHRTHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL22405819 0.81 MTNR1A (0.35) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL22405575 0.81 MTNR1A (0.35) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL22405573 0.81 MTNR1A (0.35) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL20640703 0.78
SCHEMBL3952688 0.78
SCHEMBL2421273 0.78
SCHEMBL20241604 0.74 TAS1R3 (0.39) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL3857926 0.74 TAS1R3 (0.39) MEN1KMT2AHTTALDH1A1KDM4E
Tetraethylene Glycol SCHEMBL7637829 0.73 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460789-A Process for preparing alkoxylates containing primary amine functions SANDOZ, INC. (US) 1984-07-17 US disclosed