SCHEMBL20567797

SCHEMBL20567797

C=C(CC)C(=O)OCCOCCN1CCOC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRCP P42785 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ATM Q13315 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
SCHEMBL4709270 0.86 THRB (0.47) KDM4ESMN1; SMN2GAATHRBL3MBTL1
SCHEMBL6265314 0.78 THRB (0.50) KDM4ESMN1; SMN2GAATHRBL3MBTL1
SCHEMBL245053 0.77 THRB (0.41) KDM4ESMN1; SMN2GAATHRBL3MBTL1
SCHEMBL4655598 0.77 ALDH1A1 (0.54) KDM4ETHRBL3MBTL1POLBTSHR
SCHEMBL28123165 0.74 TSHR (0.42) KDM4ESMN1; SMN2GAAPOLBTSHR
SCHEMBL2311235 0.72 TSHR (0.44) KDM4ESMN1; SMN2GAAL3MBTL1POLB
SCHEMBL14477294 0.71 ALDH1A1 (0.43) KDM4ETHRBALDH1A1MEN1KMT2A
SCHEMBL57345 0.71 THRB (0.50) THRBTSHRALDH1A1
SCHEMBL6036910 0.70 THRB (0.48) SMN1; SMN2THRBTSHRALDH1A1MEN1
SCHEMBL21975629 0.70 ATM (0.46) KDM4ESMN1; SMN2GAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356480-B1 SHELF-STABLE AQUEOUS COMPOSITION AND PROCESS OF MAKING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2021-01-06 EP disclosed
US-10717879-B2 Shelf-stable aqueous composition and process of making the same DOW GLOBAL TECHNOLOGIES LLC (US) 2020-07-21 US disclosed
US-20180340077-A1 SHELF-STABLE AQUEOUS COMPOSITION AND PROCESS OF MAKING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2018-11-29 US disclosed